Basic information
- CAS
7496-26-6- Standard SMILES
CN(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
BLOQCELCRSCRAK-RVDMUPIBSA-N- Molecular formula
- C17H15N3O2
- Average molar mass
- 293.32 g/mol
- Monoisotopic mass
- 293.11642673
Names & identifiers
- Preferred name
- (Z)-3-(4-dimethylaminophenyl)-2-(4-nitrophenyl)prop-2-enenitrile
- IUPAC
- (Z)-3-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
- English name
- Benzeneacetonitrile, a-[[4-(dimethylamino)phenyl]methylene]-4-nitro-
- Molecular formula
- C17H15N3O2
- Molecular weight
- 293.32
Names & synonyms
7496-26-6(Z)-3-(4-dimethylaminophenyl)-2-(4-nitrophenyl)prop-2-enenitrile(Z)-3-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile3-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)acrylonitrileNSC405119Cambridge id 5406208CHEMBL2030538SCHEMBL14970304HMS543O18DTXSID60350432NSC-405119AB00084276-01
Show more names
ALPHA-(4-(DIMETHYLAMINO)BENZYLIDENE)-4-NITROPHENYLACETONITRILEBenzeneacetonitrile, α-[[4-(dimethylamino)phenyl]methylene]-4-nitro-Benzeneacetonitrile, a-[[4-(dimethylamino)phenyl]methylene]-4-nitro-
(2Z)-3-[4-(DIMETHYLAMINO)PHENYL]-2-(4-NITROPHENYL)PROP-2-ENENITRILE
Database identifiers
- CAS
7496-26-6- PubChem CID
- 678973
- DTXSID
DTXSID60350432
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Melting point
- 245 · 245-246 °C
- Boiling point
- 450.973 · 450.973±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.244 · 1.244±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.436 · 2.436±0.12(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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