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CHEBI:28638 - isobutyronitrile

ChEBI IDCHEBI:28638
ChEBI Nameisobutyronitrile
Stars
DefinitionAn aliphatic nitrile that is acetonitrile in which two of the hydrogens have been replaced by methyl groups.
Secondary ChEBI IDsCHEBI:5991, CHEBI:24882
Last Modified6 March 2017
DownloadsMolfile
FormulaC4H7N
Net Charge0
Average Mass69.107
Monoisotopic Mass69.05785
SMILESCC(C)C#N
InChIInChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
InChIKeyLRDFRRGEGBBSRN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
polar aprotic solvent  A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
Application:
polar aprotic solvent  A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
ChEBI Ontology
Outgoing Relation(s)
isobutyronitrile (CHEBI:28638) has role polar aprotic solvent (CHEBI:48358)
isobutyronitrile (CHEBI:28638) is a aliphatic nitrile (CHEBI:80291)
isobutyronitrile (CHEBI:28638) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
2-methylpropanenitrile
Synonyms  Source
dimethylacetonitrileChemIDplus
2-methylpropionitrileChemIDplus
1-cyano-1-methylethaneChemIDplus
isopropylnitrileChemIDplus
α-methylpropanenitrileChemIDplus
2-cyanopropaneChemIDplus
UniProt Name  Source
2-methylpropanenitrileUniProt
Manual XrefsDatabases
C02420KEGG COMPOUND
Isopropyl_cyanideWikipedia
Registry NumbersSources
Reaxys:1340512Reaxys
CAS:78-82-0ChemIDplus
CAS:78-82-0NIST Chemistry WebBook
Citations