Secondary metabolite:Phenylacetonitrile



EOCID000404
Summary

sCentInDB Chemical identifier: EOCID000404

Chemical name: Phenylacetonitrile

Molecular formula: C8H7N

SMILES: N#CCc1ccccc1

InChI: InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

InChIKey: SUSQOBVLVYHIEX-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass: Benzyl cyanides


Synonymous chemical name(s):
benzyl cyanide, benzeneacetonitrile, phenyl acetonitrile, benzyl nitrile, phenylacctonitrile


External chemical identifier(s):
CID:8794, CHEMBL3560735, CHEBI:25979, CHEMSPIDER:13839308, ZINC000001666748, FDASRS:23G40PRP93, MOLPORT:001-768-890, SURECHEMBL:SCHEMBL37831


Spectrabase ID:
IIvwXzLRDGz


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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