4-(2,3-Dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Basic information
- CAS
393125-70-7- Standard SMILES
COc1cccc(C2C(C#N)=C(C)NC(C)=C2C#N)c1OC- InChIKey
OEOGANIVVDFVQL-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.13207679
Names & identifiers
- Preferred name
- 4-(2,3-Dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
- IUPAC
- 4-(2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
- English name
- 4-(2,3-Dimethoxy-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarbonitrile
- Molecular weight
- 295.34
Names & synonyms
4-(2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrileAKOS024326115ST504491374-(2,3-DIMETHOXY-PHENYL)-2,6-DIMETHYL-1,4-DIHYDRO-PYRIDINE-3,5-DICARBONITRILE3,5-Pyridinedicarbonitrile, 4-(2,3-dimethoxyphenyl)-1,4-dihydro-2,6-dimethyl-
Database identifiers
- CAS
393125-70-7- PubChem CID
- 3524092
- EC Number
- 158-284-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Boiling point
- 453.189 · 453.189±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.206 · 1.206±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.993 · 0.993±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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