Terminology Service for NFDI4Health

phenylacetonitrile

Go to external page http://purl.obolibrary.org/obo/CHEBI_25979


A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.

Term info

Label

phenylacetonitrile

Synonyms
  • phenylacetonitrile
database cross reference
Subsets

3_STAR

IUPAC NAME
phenylacetonitrile [ IUPAC ]

charge

0

formula

C8H7N

has obo namespace

chebi_ontology

has related synonym

benzeneacetonitrile, Benzyl cyanide, benzyl nitrile, alpha-tolunitrile, (cyanomethyl)benzene, benzyl cyanide, 2-phenylacetonitrile, alpha-cyanotoluene

id

CHEBI:25979

inchi

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

inchikey

SUSQOBVLVYHIEX-UHFFFAOYSA-N

mass

117.14792

monoisotopicmass

117.05785

smiles

N#CCc1ccccc1