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CHEBI:38472 - acetonitrile

ChEBI IDCHEBI:38472
ChEBI Nameacetonitrile
Stars
DefinitionA nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.
Secondary ChEBI IDsCHEBI:22185, CHEBI:30972, CHEBI:41432
Last Modified20 June 2025
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC2H3N
Net Charge0
Average Mass41.053
Monoisotopic Mass41.02655
SMILESCC#N
InChIInChI=1S/C2H3N/c1-2-3/h1H3
InChIKeyWEVYAHXRMPXWCK-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
acetonitrile
Synonyms  Source
ACETONITRILEPDBeChem
cyanomethaneNIST Chemistry WebBook
ethanenitrileNIST Chemistry WebBook
methyl cyanideIUPAC
CH3‒C≡NIUPAC
MeCNIUPAC
UniProt Name  Source
acetonitrileUniProt
Manual XrefsDatabases
CCNPDBeChem
AcetonitrileWikipedia
1349PPDB
Registry NumbersSources
Beilstein:741857Beilstein
Gmelin:895Gmelin
Reaxys:741857Reaxys
CAS:75-05-8ChemIDplus
CAS:75-05-8NIST Chemistry WebBook
Citations