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CHEBI:51937 - butyronitrile

Default Structure
ChEBI IDCHEBI:51937
ChEBI Namebutyronitrile
Stars
DefinitionA nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a propyl group.
Last Modified20 June 2025
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H7N
Net Charge0
Average Mass69.107
Monoisotopic Mass69.05785
SMILESCCCC#N
InChIInChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
InChIKeyKVNRLNFWIYMESJ-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
butyronitrile (CHEBI:51937) is a aliphatic nitrile (CHEBI:80291)
Incoming Relation(s)
2-(4-fluorophenyl)-3-oxobutyronitrile (CHEBI:51858) has functional parent butyronitrile (CHEBI:51937)
IUPAC Name 
butanenitrile
Synonyms  Source
1-CyanopropaneChemIDplus
Butyric acid nitrileChemIDplus
n-butyronitrileChEBI
n-propyl cyanideChEBI
n-ButanitrileNIST Chemistry WebBook
propyl cyanideChEBI
UniProt Name  Source
butanenitrileUniProt
Manual XrefsDatabases
ButyronitrileWikipedia
CPD-12327MetaCyc
Registry NumbersSources
Reaxys:1361452Reaxys
CAS:109-74-0NIST Chemistry WebBook
CAS:109-74-0ChemIDplus
Citations