Basic information
- CAS
443779-84-8- Standard SMILES
Cc1ccc(/C=C(\C#N)c2ccccn2)c(C)c1- InChIKey
KZYKPQHSRVIFPQ-XNTDXEJSSA-N- Molecular formula
- C16H14N2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.11569846
Names & identifiers
- Preferred name
- 3-(2,4-Dimethylphenyl)-2-(2-pyridinyl)acrylonitrile
- IUPAC
- (Z)-3-(2,4-dimethylphenyl)-2-pyridin-2-ylprop-2-enenitrile
- English name
- 3-(2,4-Dimethylphenyl)-2-(2-pyridinyl)acrylonitrile
- Molecular formula
- C16H14N2
- Molecular weight
- 234.3
Names & synonyms
AKOS0009597023-(2,4-DIMETHYLPHENYL)-2-(2-PYRIDINYL)ACRYLONITRILE2-Pyridineacetonitrile, α-[(2,4-dimethylphenyl)methylene]-
Database identifiers
- CAS
443779-84-8- PubChem CID
- 6289989
- EC Number
- 123-218-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 373.351 · 373.351±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.662 · 0.662±0.10(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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