Acetonitrile, benzoyl[[p-(dimethylamino)phenyl]imino]-
Basic information
- CAS
4714-86-7- Standard SMILES
CN(C)c1ccc(N=C(C#N)C(=O)c2ccccc2)cc1- InChIKey
AILCHXHZZVNFEG-UHFFFAOYSA-N- Molecular formula
- C17H15N3O
- Average molar mass
- 277.32 g/mol
- Monoisotopic mass
- 277.12151211
Names & identifiers
- Preferred name
- Acetonitrile, benzoyl[[p-(dimethylamino)phenyl]imino]-
- IUPAC
- N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimidoyl cyanide
- English name
- 2-{[4-(dimethylamino)phenyl]imino}-3-oxo-3-phenylpropanenitrile
- Molecular formula
- C17H15N3O
- Molecular weight
- 277.32
Names & synonyms
4714-86-7Acetonitrile, benzoyl[[p-(dimethylamino)phenyl]imino]-2-(4-dimethylaminophenyl)imino-3-oxo-3-phenyl-propanenitrile2-{[4-(dimethylamino)phenyl]imino}-3-oxo-3-phenylpropanenitrileNSC150008N-[4-(dimethylamino)phenyl]-2-oxo-2-phenylethanimidoyl cyanideDTXSID50302288NSC-150008AE-562/12222096(2E)-2-{[4-(Dimethylamino)phenyl]imino}-3-oxo-3-phenylpropanenitrileBenzenepropanenitrile, α-[[4-(dimethylamino)phenyl]imino]-β-oxo-
Database identifiers
- CAS
4714-86-7- PubChem CID
- 288689
- DTXSID
DTXSID50302288- Nikkaji
- J1.590.614F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Melting point
- 125 °C · 125 °C
- Boiling point
- 448.5 · 448.5±47.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 2.13 · 2.13±0.24(Predicted)
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Related reactions
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Compound notes
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