CHEBI:27982 - (2-methylphenyl)acetonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2-methylphenyl)acetonitrile
ChEBI ID CHEBI:27982
Definition A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-methylphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9628, CHEBI:27025
Supplier Information
Download Molfile XML SDF
Formula C9H9N
Net Charge 0
Average Mass 131.17450
Monoisotopic Mass 131.07350
InChI InChI=1S/C9H9N/c1-8-4-2-3-5-9(8)6-7-10/h2-5H,6H2,1H3
InChIKey WMGVPDQNPUQRND-UHFFFAOYSA-N
SMILES Cc1ccccc1CC#N
ChEBI Ontology
Outgoing (2-methylphenyl)acetonitrile (CHEBI:27982) has functional parent acetonitrile (CHEBI:38472)
(2-methylphenyl)acetonitrile (CHEBI:27982) is a nitrile (CHEBI:18379)
IUPAC Name
(2-methylphenyl)acetonitrile
Synonyms Sources
2-methylbenzyl cyanide NIST Chemistry WebBook
2-Methylbezeneacetonitrile KEGG COMPOUND
o-Methylbenzyl cyanide KEGG COMPOUND
o-methylphenylacetonitrile NIST Chemistry WebBook
o-Tolylacetonitrile KEGG COMPOUND
Tolylacetonitrile KEGG COMPOUND
Manual Xref Database
C02596 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
22364-68-7 CAS Registry Number KEGG COMPOUND
22364-68-7 CAS Registry Number NIST Chemistry WebBook
22364-68-7 CAS Registry Number ChemIDplus
907182 Reaxys Registry Number Reaxys
907182 Beilstein Registry Number Beilstein
Last Modified
18 July 2011