(Methyl(phenyl)amino)acetonitrile
Basic information
- CAS
36602-08-1- Standard SMILES
CN(CC#N)c1ccccc1- InChIKey
ANIQVHCSNGQMPG-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439833
Names & identifiers
- Preferred name
- (Methyl(phenyl)amino)acetonitrile
- IUPAC
- 2-(N-methylanilino)acetonitrile
- English name
- 2-(MethylphenylaMino)-acetonitrile
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
36602-08-1[methyl(phenyl)amino]acetonitrileDTXSID10289147(Methyl(phenyl)amino)acetonitrileRefChem:1050982DTXCID102402932-(Methyl(phenyl)amino)acetonitrile2-(N-methylanilino)acetonitrile2-[METHYL(PHENYL)AMINO]ACETONITRILENSC59411SCHEMBL304704SCHEMBL6553712
Show more names
NSC 59411NSC 406908N-Methyl-N-phenylaminoacetonitrileAcetonitrile, 2-(methylphenylamino)-
SCHEMBL6553719SCHEMBL179625252-(methyl-phenylamino)acetonitrilealpha-(n-methylanilino)acetonitrileMFCD09906893NSC-59411NSC406908AKOS000187921
Database identifiers
- CAS
36602-08-1- PubChem CID
- 246407
- DTXSID
DTXSID10289147- Nikkaji
- J358.475E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 138 · 138-141℃ (9 Torr)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- pka
- 1.68 · 1.68±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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