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CHEBI:38472 - acetonitrile
| Formula | C2H3N |
| Net Charge | 0 |
| Average Mass | 41.053 |
| Monoisotopic Mass | 41.02655 |
| SMILES | CC#N |
| InChI | InChI=1S/C2H3N/c1-2-3/h1H3 |
| InChIKey | WEVYAHXRMPXWCK-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. |
| Biological Role: | 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: | 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) |
| 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 aliphatic nitrile (CHEBI:80291) |
| acetonitrile (CHEBI:38472) is a volatile organic compound (CHEBI:134179) |
| Incoming Relation(s) |
| (2-methylphenyl)acetonitrile (CHEBI:27982) has functional parent acetonitrile (CHEBI:38472) |
| (hydroxyimino)(phenyl)acetonitrile (CHEBI:38842) has functional parent acetonitrile (CHEBI:38472) |
| [5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile (CHEBI:39686) has functional parent acetonitrile (CHEBI:38472) |
| 2-thienylacetonitrile (CHEBI:27382) has functional parent acetonitrile (CHEBI:38472) |
| 3-phenylpropionitrile (CHEBI:85426) has functional parent acetonitrile (CHEBI:38472) |
| 4-chlorophenylacetonitrile (CHEBI:17346) 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 | Source |
|---|---|
| ACETONITRILE | PDBeChem |
| CH3‒C≡N | IUPAC |
| cyanomethane | NIST Chemistry WebBook |
| ethanenitrile | NIST Chemistry WebBook |
| MeCN | IUPAC |
| methyl cyanide | IUPAC |
| UniProt Name | Source |
|---|---|
| acetonitrile | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 1349 | PPDB |
| Acetonitrile | Wikipedia |
| CCN | PDBeChem |
| Citations |
|---|