Basic information
- CAS
16728-83-9- Standard SMILES
Cc1ccccc1NCC#N- InChIKey
LGQSLWOZIBVRQZ-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439833
Names & identifiers
- Preferred name
- (2-Methylanilino)acetonitrile
- IUPAC
- 2-(2-methylanilino)acetonitrile
- English name
- [methyl(phenyl)amino]acetonitrile
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
(2-Methylanilino)acetonitrile16728-83-9ACETONITRILE, o-TOLUIDINO-Glycinonitrile, N-o-tolyl-9Y4A0U6M4BAcetonitrile, ((2-methylphenyl)amino)-NSC-528393DTXSID70168267Acetonitrile, [(2-methylphenyl)amino]-RefChem:1049717DTXCID0090758o-Tolylaminoacetonitrile
Show more names
2-(N-Methylanilino)acetonitrile[methyl(phenyl)amino]acetonitrile2-[Methyl(phenyl)amino]acetonitrileAcetonitrile, 2-[(2-methylphenyl)amino]-
2-(2-methylanilino)acetonitrileAcetonitrile, o-tolylamino-NSC 528393BRN 2085645NSC5283932-toluidinoacetonitrileAcetonitrile, ((2-methylphenyl)amino)- (9CI)WLN: NC1MR B1
Database identifiers
- CAS
16728-83-9- PubChem CID
- 28018
- DTXSID
DTXSID70168267- UNII
- 9Y4A0U6M4B
- Nikkaji
- J55.178C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 128 · 128-130 °C(Press: 1 Torr)
- Density
- 1.082 · 1.082±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.23 · 1.230±0.50(predicted)
- FDA UNII
- 9 Y4A0U6M4B · 9Y4A0U6M4B
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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