Home Structure 3-Phenylpropanenitrile

Structure 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

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-Phenylpropanenitrile molecule contains a total of 19 bond(s). There are 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).
Images of the chemical structure of 3-Phenylpropanenitrile are given below:

2D chemical structure image of 3-Phenylpropanenitrile
2-dimensional (2D) chemical structure image of 3-Phenylpropanenitrile
3D chemical structure image of 3-Phenylpropanenitrile
3-dimensional (3D) chemical structure image of 3-Phenylpropanenitrile

The 2D chemical structure image of 3-Phenylpropanenitrile is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-Phenylpropanenitrile are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 3-Phenylpropanenitrile is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 3-Phenylpropanenitrile.


An Interactive 3-dimensional (3D) Visualization of 3-Phenylpropanenitrile

For a better understanding of the chemical structure, an interactive 3D visualization of 3-Phenylpropanenitrile is provided here.

The 3-Phenylpropanenitrile molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 3-Phenylpropanenitrile molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 3-Phenylpropanenitrile can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.


Additional Information for Identifying 3-Phenylpropanenitrile Molecule

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

    The 3-Phenylpropanenitrile compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-Phenylpropanenitrile including the various registry numbers, if available:

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

3-Phenylpropanenitrile Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-Phenylpropanenitrile?
C9H9N
How many atoms and what are the elements included 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 kind of bonds are included 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 3-Phenylpropanenitrile’s molecular weight?
131.17446 g/mol
What’s the SMILES code of 3-Phenylpropanenitrile?
N#CCCc1ccccc1
What’s the InChI string 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 code of 3-Phenylpropanenitrile?
ACRWYXSKEHUQDB-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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