HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Ethyl-3,5-bis(2-methylbenzylidene)-4-piperidinone
1-Ethyl-3,5-bis(2-methylbenzylidene)-4-piperidinone · 4-Piperidinone, 1-ethyl-3,5-bis[(2-methylphenyl)methylene]-
Identifiers & Physical Properties
| CAS No. | 330657-28-8 |
|---|---|
| Molecular formula | C23H25NO |
| Average molar mass | 331.4 g/mol |
| Monoisotopic mass | 331.19361442 g/mol |
| SMILES | CCN1C/C(=C\c2ccccc2C)C(=O)/C(=C/c2ccccc2C)C1 |
| InChIKey | NUVNZDFXVCESAL-JFMUQQRKSA-N |
| PubChem CID | 6505259 |
| EC No. | 115-034-2 |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 20.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 488 |
| Boiling point | 509.417±50.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.106±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 6.479±0.20(predicted) |