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acetonitrile (CHEBI:38472)

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ChEBI Name acetonitrile
ChEBI ID CHEBI:38472
Definition A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41432, CHEBI:30972, CHEBI:22185
Supplier Information
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Formula Source
C2H3N ChEBI
Net Charge 0
Average Mass 41.05196
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
SMILES
CC#N
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.
EC 3.5.1.4 (amidase) inhibitor
An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4).
Biological Role(s): EC 3.5.1.4 (amidase) inhibitor
An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4).
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.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing acetonitrile (CHEBI:38472) has role EC 3.5.1.4 (amidase) inhibitor (CHEBI:77941)
acetonitrile (CHEBI:38472) has role polar aprotic solvent (CHEBI:48358)
acetonitrile (CHEBI:38472) is a nitrile (CHEBI:18379)
Incoming (2-methylphenyl)acetonitrile (CHEBI:27982) has functional parent acetonitrile (CHEBI:38472)
(hydroxyimino)(phenyl)acetonitrile (CHEBI:38842) has functional parent acetonitrile (CHEBI:38472)
2-thienylacetonitrile (CHEBI:27382) has functional parent acetonitrile (CHEBI:38472)
4-chlorophenylacetonitrile (CHEBI:17346) has functional parent acetonitrile (CHEBI:38472)
[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile (CHEBI:39686) has functional parent acetonitrile (CHEBI:38472)
acetonitrile oxide (CHEBI:47841) has functional parent acetonitrile (CHEBI:38472)
acetonitrile sulfide (CHEBI:47842) has functional parent acetonitrile (CHEBI:38472)
iminodiacetonitrile (CHEBI:71189) has functional parent acetonitrile (CHEBI:38472)
indole-3-acetonitrile (CHEBI:17566) has functional parent acetonitrile (CHEBI:38472)
phenylacetonitrile (CHEBI:25979) has functional parent acetonitrile (CHEBI:38472)
IUPAC Name
acetonitrile
Synonyms Sources
ACETONITRILE PDBeChem
CH3‒C≡N IUPAC
cyanomethane NIST Chemistry WebBook
ethanenitrile NIST Chemistry WebBook
MeCN IUPAC
methyl cyanide IUPAC
NCMe ChEBI
Database Links Databases
Acetonitrile Wikipedia
CCN PDBeChem
View more database links
Registry Numbers Types Sources
741857 Beilstein Registry Number Beilstein
741857 Reaxys Registry Number Reaxys
75-05-8 CAS Registry Number NIST Chemistry WebBook
75-05-8 CAS Registry Number ChemIDplus
895 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
17347819 PubMed citation CiteXplore
19100763 PubMed citation CiteXplore
20370615 PubMed citation CiteXplore
985423 PubMed citation CiteXplore
Last Modified
27 March 2014

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