HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-[[1-(3-Phenylprop-2-enyl)piperidin-4-yl]amino]chromen-2-one
4-[(1-cinnamyl-4-piperidinyl)amino]-2H-chromen-2-one
![4-[[1-(3-Phenylprop-2-enyl)piperidin-4-yl]amino]chromen-2-one molecular structure](/img/chemical/178819827.png)
Identifiers & Physical Properties
| CAS No. | 353255-79-5 |
|---|---|
| Molecular formula | C23H24N2O2 |
| Average molar mass | 360.4 g/mol |
| SMILES | O=c1cc(NC2CCN(CC=Cc3ccccc3)CC2)c2ccccc2o1 |
| InChIKey | FIRKPDSIWCEKFV-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.3 |
|---|---|
| Topological polar surface area | 41.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 557 |
| Boiling point | 569.320±50.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.218±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 8.510±0.10(predicted) |