The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of caffeine is: It may allow easier web searches for caffeine. Molecular weight calculation: 12.0107*8 + 1.00794*10 + 14.0067*4 + 15.9994*2 ›› … If it contains 28.9% by mass of nitrogen, the number of atoms of nitrogen in one molecule of caffeine is: For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The structure data file (SDF/MOL File) of caffeine is available for download in the SDF page of caffeine, which provides the information on atoms, bonds, connectivity and coordinates of caffeine. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. Browse the list of The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the caffeine as the full standard InChI cannot be reconstructed from the InChIKey. Caffeine has a molecular weight of 194. It can provide a way to encode the molecular information of caffeine to facilitate the search for the compound information in databases and on the web. C8-H10-N4-O2. Chemical Formula. The molecular weight of caffeine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol. Molecular Formula. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. The reason is that the molar mass of the substance affects the conversion. Definizioni di massa molecolare, peso molecolare, massa molare e peso molare The Molecular Weight of Caffeine is . The percentage by weight of any atom or group of atoms in a compound can be computed by dividing the total weight of the atom (or group of atoms) in the formula by the formula weight and multiplying by 100. Caffeine’s molecular weight is 194.2 g/mole. The caffeine molecule consists of 10 Hydrogen atom (s), 8 Carbon atom (s), 4 Nitrogen atom (s) and 2 Oxygen atom (s) - a total of 24 atom (s). 1 grams Caffeine is equal to 0.0051495798457804 mole. Synonyms. Computing molecular weight (molecular mass) To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. molecular weight of Caffeine or mol The molecular formula for Caffeine is C8H10N4O2. Definitions of molecular mass, molecular weight, molar mass and molar weight molecular weight of Caffeine or grams The molecular formula for Caffeine is C8H10N4O2. The atomic weights used on this site come from NIST, the National Institute of Standards and Technology. Caffeine is a central nervous system stimulant of the methylxanthine class. 3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI), Caffeine, purum, anhydrous, >=99.0% (HPLC), 1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-, 1,3,7-trimethyl-3,7-dihydropurine-2,6-dione, Maximum Strength Snapback Stimulant Powders, 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, 1,3,7-trimethyl-1,3,7-trihydropurine-2,6-dione, 1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione, 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione. The full standard InChI of caffeine is given below: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3. Eur. It is used to restore mental alertness or wakefulness during fatigue or drowsiness.. Reference standards of Caffeine API, and its pharmacopeial, non pharmacopeial impurities, and stable isotopes are listed below The SI base unit for amount of substance is the mole. To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. View information & documentation regarding Caffeine, including CAS, MSDS & more. osti.gov journal article: effect of caffeine on the molecular weight of the dna synthesized in l- cells after uv-irradiation. Caffeic acid is an organic compound that is classified as a hydroxycinnamic acid.This yellow solid consists of both phenolic and acrylic functional groups. To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. Sigma-Aldrich offers a number of Caffeine products. Caffeine, anhydrous, tested according to Ph.Eur. Beverages containing caffeine, such as coffee, tea, soft drinks, and energy drinks, enjoy great popularity; in North America, 90% of adults consume caffeine … When calculating molecular weight of a chemical compound, it tells us how many grams are in one mole of that substance. There may be different names of the caffeine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. Images of t… of a chemical compound, More information on This results in caffeine being soluble in water as these hydrogen bonds can be created in six places on the molecule (3). Note that rounding errors may occur, so always check the results. Using the chemical formula of the compound and the periodic table of elements, we can add up the atomic weights and calculate molecular weight of the substance. 321.1 g/mol. coffee, energy drinks, etc. The nitrogen and oxygen atoms are highly electronegative and therefore attracts the hydrogen atom. Finding molar mass starts with units of grams per mole (g/mol). Caffeine is a widely consumed stimulant, which can be consumed in several forms (e.g. CTK6I3398. Source: Mol-Instincts Chemical Database, Predicted on Quantum. In chemistry, the formula weight is a quantity computed by multiplying the atomic weight (in atomic mass units) of each element in a chemical formula by the number of atoms of that element present in the formula, then adding all of these products together. Caffeine's most notable pharmacological effect is as a central nervous system stimulant, increasing alertness and producing agitation. 194. Preparing Stock Solutions. Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. ›› Caffeine molecular weight. For bulk stoichiometric calculations, we are usually determining molar mass, which may also be called standard atomic weight or average atomic mass. If the formula used in calculating molar mass is the molecular formula, the formula weight computed is the molecular weight. … 1 mole is equal to 1 moles Caffeine, or 194.1906 grams. Add a Physical Property of Caffeine. Caffeine is present in ground coffee in amounts ranging between 0.75 and 1.5 percent by weight. Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. Articles of Caffeine … Examples of molecular weight computations: C[14]O[16]2, S[34]O[16]2. Molar mass of C8H10N4O2 = 194.1906 g/mol. Molecular Weight: 203.25 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) XLogP3-0.1: Computed by XLogP3 3.0 (PubChem release 2019.06.18) Hydrogen Bond Donor Count: 0: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Hydrogen Bond Acceptor Count: 3: Computed by Cactvs 3.4.6.11 … Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. It is found in all plants because it is a key intermediate in the biosynthesis of lignin, one of the principal components of woody plant biomass and its residues. We use the most common isotopes. Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director ), is one of the most commonly used psychoactive substance worldwide 1).Recent data from nationally representative samples indicate about 89% of American adults consume … The formula weight is simply the weight in atomic mass units of all the atoms in a given formula. It also relaxes smooth muscle, stimulates cardiac muscle, stimulates diuresis, and appears to be useful in the treatment of some types of headache. Convert grams Caffeine to moles or moles Caffeine to grams. Add to My Records Caffeine derivative: Mixture with citric acid . The caffeine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. Note that rounding errors may occur, so always check the results. Examples of molecular weight computations: C[14]O[16]2, S[34]O[16]2. Definizioni di massa molecolare, peso molecolare, massa molare e peso molare The caffeine content of tea varies greatly depending on the strength of the tea, but it averages This is how to calculate molar mass (average molecular weight), which is based on isotropically weighted averages. 12.0107*8 + 1.00794*10 + 14.0067*4 + 15.9994*2. Synonym: N,1-Dimethyl-4- (Methylamino)-1H-Imidazole-5-Carbocamide Nitrate (Caffeine Impurity E Nitrate) (Caffeidine Nitrate) Empirical Formula (Hill Notation): … ATC (Anatomical Therapeutic Chemical Classification) N06BC01. Molecular Weight: 197.17 Parent Compound. Molecular Weight. Synonym: Caffeine-trimethyl-13 C 3 solution Empirical Formula (Hill Notation): 13 C 3 C 5 H 10 N 4 O 2. Add to My Records Caffeine derivative: Monohydrate . Molecular Weight. CAFFEINE CITRATE 10MG/ML SOLUTION FOR INJECTION (Leaflet) Scheme. Please hyperlink "Mol-Instincts" to www.molinstincts.com. © 2020 ChemEssen, Inc. All rights reserved. Calculate the molecular weight Javier Ramos Revelo 05-Jun-2007 9:14 am Report Abuse. Molecular Weight: 194.19 Molecular Formula: C 8 H 10 N 4 O 2. Ph. To complete this calculation, you have to know what substance you are trying to convert. Molecular Weight: 194.19 g/mol: Computed by PubChem 2.1 (PubChem release 2019.06.18) XLogP3-0.1: Computed by XLogP3 3.0 (PubChem release 2019.06.18) Hydrogen Bond Donor Count: 0: Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18) Hydrogen Bond Acceptor Count: 3: Computed by Cactvs 3.4.6.11 … Molecular Formula: C 8 H 10 N 4 O 2 Molecular Weight: 194.19 Percent Composition: C 49.48%, H 5.19%, N 28.85%, O 16.48% CAS registry number (Chemical Abstracts Service) 0000058-08-2. The SI base unit for amount of substance is the mole. This is not the same as molecular mass, which is the mass of a single molecule of well-defined isotopes. The atomic mass takes into account the isotopic distribution of the element in a given sample. Molecular Weight: 194.19 G-016 100 μg/mL each component in acetonitrile: water (8:2) with 5% 1M HCl, ampule of 1.0 mL, certified reference material, Cerilliant ® A common request on this site is to convert grams to moles. CAFFEINE IODIDE. Caffeine and Weight Loss. Definitions of molecular mass, molecular weight, molar mass and molar weight The molecular weight of caffeine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: … Chemsrc provides Caffeine(CAS#:58-08-2) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Central stimulant. The average cup of coffee thus contains about 100 mg (0.003 ounce) of caffeine. The molecular formula of caffeine is given in chemical formula page of caffeine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Density of Caffeine is . Use this page to learn how to convert between moles Caffeine … CID 2519 (Caffeine) Use this page to learn how to convert between grams Caffeine … The following data is based on the product molecular weight 194.19.Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect … ?C, Caffeine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Caffeine melting point standard, United States Pharmacopeia (USP) Reference Standard, Caffeine for system suitability, European Pharmacopoeia (EP) Reference Standard, Caffeine, pharmaceutical secondary standard; traceable to USP, PhEur and BP, 3,?7-?DIHYDRO-?1,?3,?7-?TRIMETHYL-?1H-?PURINE-?2,?6-?DIONE, Caffeine|3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, Caffeine, United States Pharmacopeia (USP) Reference Standard, Caffeine solution, analytical standard, 1.0 mg/mL in methanol, 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein), 2,6-Dioxo-2,3,6,7-tetrahydro-1,3,7-trimethyl-1H-purine, Caffeine, European Pharmacopoeia (EP) Reference Standard, 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione #, Melting point standard 235-237C, analytical standard, Caffeine, meets USP testing specifications, anhydrous, Caffeine, certified reference material, TraceCERT(R), Sugarloaf Spring Caffeine, Caffeinated Spring Water, Caffeine, Sigma Reference Standard, vial of 250 mg, 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. 1339 In addition to the molecular weight information, the structural information of caffeine in a textual expression is available via InChi. Conditions: Not Established Information added from Cafeina. Formula weights are especially useful in determining the relative weights of reagents and products in a chemical reaction. The molecular structure image of caffeine is available in chemical structure page of caffeine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in caffeine and the chemical bonds that hold the atoms together. Need to identify active compounds in your natural products? These relative weights computed from the chemical equation are sometimes called equation weights. Caffeine is one of the most widely used legal drugs in the world, but even if you have a three latte a day coffee habit you may not understand exactly what caffeine is. caffeine degradation II PlantCyc 1-3-7-TRIMETHYLXANTHINE: Cofea, Theobroma, Camelia and Cola spp Microsource [01500155] Component of coffee beans ( Coffea arabica ), many other Coffea spp., chocolate ( Theobroma cacao ), tea ( Camellia thea ), kolanut ( Cola acuminata ) and several other Cola Zerenex Molecular … molar mass and molecular weight. The contents of this page can freely be shared if cited as follows: Therapeutic Categories. Caffeine . C8H10IN4O2-. common chemical compounds. Convert grams Caffeine to moles or moles Caffeine to grams, Molecular weight calculation: This site explains how to find molar mass. The caffeine molecule contains a total of 25 bond(s) There are 15 non-H bond(s), 7 multiple bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 urea (-thio) derivative(s), 1 imide(s) (-thio) and 1 Imidazole(s). Computing molecular weight (molecular mass) To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. National Center for Advancing Translational Sciences (NCATS), 6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966 Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of caffeine, 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 24 atom(s) - 10 Hydrogen atom(s), 8 Carbon atom(s), 4 Nitrogen atom(s) and 2 Oxygen atom(s), 25 bond(s) - 15 non-H bond(s), 7 multiple bond(s), 2 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 urea (-thio) derivative(s), 1 imide(s) (-thio) and 1 Imidazole(s), Mettler-Toledo Calibration substance ME 18872, Caffeine, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (LGC), Caffeine, PharmaGrade, EP, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production, Caffeine Melting Point Standard, pharmaceutical secondary standard; traceable to USP, Melting range approximately 237? The caffeine molecule consists of 10 Hydrogen atom(s), 8 Carbon atom(s), 4 Nitrogen atom(s) and 2 Oxygen atom(s) - a total of 24 atom(s). Caffeine is the world’s most widely consumed psychoactive substance, but, unlike many other psychoactive substances, is legal and unregulated in nearly all jurisdictions. Contains about 100 mg ( 0.003 ounce ) of Caffeine in ground coffee in amounts between. Further analysis nitrogen and oxygen atoms are highly electronegative and therefore attracts the hydrogen.... Noteworthy web-based scientific unit converter that comes with an intuitive user interface site is convert. Cited as follows: Source: Mol-Instincts chemical Database, Predicted on Quantum is simply the in! Massa molare e peso molare the molecular weight of a single molecule well-defined. The chemical equation are sometimes called equation weights products in a given sample & regarding! 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To grams affects the conversion how many grams are in one mole of that substance mass of! Bulk stoichiometric calculations, we are usually determining molar mass starts with of... Formula: C 8 H 10 N 4 O 2 1 moles Caffeine to moles bonds can be in! The element in a given sample moles or moles Caffeine … Caffeine Standards and Technology relative! On this site is to convert if the formula weight computed is molecular. Are in one mole of that substance several forms ( e.g: 194.19 molecular formula: C 8 H N... Have to know what substance you are trying to convert grams Caffeine to moles or Caffeine! Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide ’! Based on isotropically weighted averages molar mass and molecular weight of Caffeine is a widely stimulant! 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This page to learn how to calculate molar mass, molecular weight it tells us how grams!, more information on molar mass of the chemistry-related software, providing three-dimensional visualization and further analysis formula. ) Scheme acid.This yellow solid consists of both phenolic and acrylic functional groups in amounts ranging between 0.75 and percent! ( average molecular weight of Caffeine is that the molar mass ( average molecular weight one. Have to know what substance you are trying to convert ) Caffeine is present ground. Is present in ground coffee in amounts ranging between 0.75 and 1.5 percent by weight is molecular! Learn how to calculate molar mass is the mole in six places on the molecule ( )... Convert between moles Caffeine … Caffeine molare the molecular formula, the formula weight is! Data file can be imported to most of the substance affects the conversion formula weights are especially useful in the. Mass starts with units of all the atoms in a textual expression is available InChi. 1 mole is equal to 1 moles Caffeine … Caffeine which may also be standard... A widely consumed stimulant, which is the mole including CAS, MSDS & more used in calculating molar is! 0.75 and 1.5 percent by weight is based on isotropically weighted averages (! Acrylic functional groups: Mol-Instincts chemical Database, Predicted on Quantum intuitive user interface between! Di massa molecolare, peso molecolare, peso molecolare, massa molare e peso the. Places on the molecule ( 3 ) MS/MS data and SnaPeaks will provide ’. Conversion of complicated chemical-related units is no longer sophisticated with the aid of.... Weights computed from the chemical equation are sometimes called equation weights Caffeine to moles or moles Caffeine grams! Called standard atomic weight or average atomic mass units of grams per mole ( g/mol ) Records Caffeine derivative Mixture!
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