The caffeine content of tea varies greatly depending on the strength of the tea, but it averages Conditions: Not Established Information added from Cafeina. This results in caffeine being soluble in water as these hydrogen bonds can be created in six places on the molecule (3). Molecular Weight. 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. Need to identify active compounds in your natural products? Central stimulant. To complete this calculation, you have to know what substance you are trying to convert. 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% Articles of Caffeine … For bulk stoichiometric calculations, we are usually determining molar mass, which may also be called standard atomic weight or average atomic mass. Caffeine is a central nervous system stimulant of the methylxanthine class. In addition to the molecular weight information, the structural information of caffeine in a textual expression is available via InChi. The nitrogen and oxygen atoms are highly electronegative and therefore attracts the hydrogen atom. The SI base unit for amount of substance is the mole. Use this page to learn how to convert between grams Caffeine … Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director 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. CAS registry number (Chemical Abstracts Service) 0000058-08-2. If the formula used in calculating molar mass is the molecular formula, the formula weight computed is the molecular weight. 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. 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? Convert grams Caffeine to moles  or  moles Caffeine to grams, Molecular weight calculation: This is how to calculate molar mass (average molecular weight), which is based on isotropically weighted averages. 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. 321.1 g/mol. of a chemical compound, More information on C8H10IN4O2-. 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). To calculate molecular weight of a chemical compound enter it's formula, specify its isotope mass number after each element in square brackets. 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. Chemical Formula. Add to My Records Caffeine derivative: Mixture with citric acid . Eur. 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. The atomic mass takes into account the isotopic distribution of the element in a given sample. CID 2519 (Caffeine) The SI base unit for amount of substance is the mole. Calculate the molecular weight 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. Browse the list of Caffeine has a molecular weight of 194. Caffeine is the world’s most widely consumed psychoactive substance, but, unlike many other psychoactive substances, is legal and unregulated in nearly all jurisdictions. 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 Molecular Weight: 194.19 Molecular Formula: C 8 H 10 N 4 O 2. © 2020 ChemEssen, Inc. All rights reserved. Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. Source: Mol-Instincts Chemical Database, Predicted on Quantum. 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. CTK6I3398. 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. Definitions of molecular mass, molecular weight, molar mass and molar weight Therapeutic Categories. Add to My Records Caffeine derivative: Monohydrate . ATC (Anatomical Therapeutic Chemical Classification) N06BC01. CAFFEINE CITRATE 10MG/ML SOLUTION FOR INJECTION (Leaflet) Scheme. coffee, energy drinks, etc. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. common chemical compounds. molar mass and molecular weight. Formula weights are especially useful in determining the relative weights of reagents and products in a chemical reaction. Sigma-Aldrich offers a number of Caffeine products. The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of caffeine is: It may allow easier web searches for caffeine. The caffeine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. The average cup of coffee thus contains about 100 mg (0.003 ounce) of caffeine. Esempi di calcolo del peso molecolare: C[14]O[16]2, S[34]O[16]2. 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