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Molecular Weight of 3-Phenylpropanenitrile (C9H9N)

Identification of 3-Phenylpropanenitrile Chemical Compound

2D chemical structure image of 3-Phenylpropanenitrile
Chemical Formula C9H9N
Molecular Weight 131.17446 g/mol
IUPAC Name 3-phenylpropanenitrile
SMILES String N#CCCc1ccccc1
InChI InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
InChIKey ACRWYXSKEHUQDB-UHFFFAOYSA-N

Molecular Weight Description

The 3-Phenylpropanenitrile molecule consists of 9 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s) - a total of 19 atom(s). The molecular weight of 3-Phenylpropanenitrile is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 131.17446 · \frac{g}{mol} $$

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 masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

3D chemical structure image of 3-Phenylpropanenitrile
Ball-and-stick model of 3-Phenylpropanenitrile

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Additional Information for Identifying 3-Phenylpropanenitrile Molecule


  • InChI (IUPAC International Chemical Identifier) information of 3-Phenylpropanenitrile

    In addition to the molecular weight information, the structural information of 3-Phenylpropanenitrile in a textual expression is available via InChi. The full standard InChI of 3-Phenylpropanenitrile is given below:

    InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2

    It can provide a way to encode the molecular information of 3-Phenylpropanenitrile to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 3-Phenylpropanenitrile is:

    InChIKey=ACRWYXSKEHUQDB-UHFFFAOYSA-N

    It may allow easier web searches for 3-Phenylpropanenitrile. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 3-Phenylpropanenitrile as the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 3-Phenylpropanenitrile

    There may be different names of the 3-Phenylpropanenitrile compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

    • BBV-46884339
    • Z1259339804
    • F0001-1748
    • I14-50114
    • BENZENEPROPANENITRILE 4-HYDROXY-3-METHYL-
    • V2247
    • P0611
    • ANW-34909
    • ETHYL, 1-CYANO-2-PHENYL-
    • 3-Phenylpropionitrile, 99%
    • H2Y1JYN13Q
    • .beta.-Phenyl propionitrile
    • .beta.-Phenylethyl cyanide
    • .beta.-Phenylpropionitrile
    • beta-Phenyl propionitrile
    • 1-Cyano-2-phenylethane
    • beta-Phenylethyl cyanide
    • 3-phenyl-propionitrile
    • 3-Phenylpropanonitrile
    • 3-phenylpropanonitril
    • 3-phenylpropanitrile
    • Dihydrocinnamonitrile
    • phenylpropanonitrile
    • Benzenepropanitrile
    • Benzylacetonitrile
    • MFCD00001961
    • Hydrocinnamique nitrile [French]
    • 1-Phenyl-2-cyanoethane
    • Hydrocinnamique nitrile
    • Phenethyl cyanide
    • 3-Phenylpropiononitrile
    • Phenylpropionitrile
    • (2-Cyanoethyl)benzene
    • Benzenepropionitrile
    • 2-Phenylethyl cyanide
    • HYDROCINNAMONITRILE
    • 645-59-0
    • Benzenepropanenitrile
    • 3-Phenylpropionitrile

3-Phenylpropanenitrile Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of 3-Phenylpropanenitrile?
C9H9N
How many atoms and what are the elements in the 3-Phenylpropanenitrile molecule?
19 atom(s) - 9 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s)
How many chemical bonds and what types of bonds are in the 3-Phenylpropanenitrile structure?
19 bond(s) - 10 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 triple bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 nitrile(s) (aliphatic)
What’s the molar mass of 3-Phenylpropanenitrile?
131.17446 g/mol
What’s the SMILES format of 3-Phenylpropanenitrile?
N#CCCc1ccccc1
What’s the InChI format of 3-Phenylpropanenitrile?
InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
What’s the InChIKey string of 3-Phenylpropanenitrile?
ACRWYXSKEHUQDB-UHFFFAOYSA-N

18 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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