CHEBI:51937 - butyronitrile

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ChEBI Name butyronitrile ChEBI ID CHEBI:51937 Definition A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a propyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C4H7N Net Charge 0 Average Mass 69.10512 Monoisotopic Mass 69.05785 InChI InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 InChIKey KVNRLNFWIYMESJ-UHFFFAOYSA-N SMILES CCCC#N ChEBI Ontology Outgoing butyronitrile (CHEBI:51937) is a aliphatic nitrile (CHEBI:80291) Incoming 2-(4-fluorophenyl)-3-oxobutyronitrile (CHEBI:51858) has functional parent butyronitrile (CHEBI:51937) IUPAC Name butanenitrile Synonyms Sources 1-Cyanopropane ChemIDplus Butyric acid nitrile ChemIDplus n-Butanitrile NIST Chemistry WebBook n-butyronitrile ChEBI n-propyl cyanide ChEBI propyl cyanide ChEBI Manual Xrefs Databases Butyronitrile Wikipedia CPD-12327 MetaCyc View more database links Registry Numbers Types Sources 109-74-0 CAS Registry Number NIST Chemistry WebBook 109-74-0 CAS Registry Number ChemIDplus 1361452 Reaxys Registry Number Reaxys 1361452 Beilstein Registry Number Beilstein Citations Types Sources 21702510 PubMed citation Europe PMC 23919523 PubMed citation Europe PMC 24533637 PubMed citation Europe PMC Last Modified 01 May 2015