CHEBI:28638 - isobutyronitrile

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ChEBI Name isobutyronitrile
ChEBI ID CHEBI:28638
Definition An aliphatic nitrile that is acetonitrile in which two of the hydrogens have been replaced by methyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5991, CHEBI:24882
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Formula C4H7N
Net Charge 0
Average Mass 69.105
Monoisotopic Mass 69.058
InChI InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
InChIKey LRDFRRGEGBBSRN-UHFFFAOYSA-N
SMILES C(C#N)(C)C
Roles Classification
Chemical Role(s): 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(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
1-cyano-1-methylethane ChemIDplus
2-cyanopropane ChemIDplus
2-methylpropane nitrile ChemIDplus
2-methylpropanenitrile UniProt
2-methylpropionitrile ChemIDplus
α-methylpropanenitrile ChemIDplus
dimethylacetonitrile ChemIDplus
isobutyronitrile ChemIDplus
isopropyl cyanide ChemIDplus
isopropyl nitrile ChemIDplus
isopropylnitrile ChemIDplus
Manual Xrefs Databases
C02420 KEGG COMPOUND
Isopropyl_cyanide Wikipedia
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Registry Numbers Types Sources
1340512 Reaxys Registry Number Reaxys
78-82-0 CAS Registry Number NIST Chemistry WebBook
78-82-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17644641 PubMed citation Europe PMC
22945851 PubMed citation Europe PMC
508302 PubMed citation Europe PMC
Last Modified
06 March 2017