HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dihydrodinoreburnameninol
dihydrodinoreburnameninol · 20,21-Dinoreburnamenin-14-ol, 14,15-dihydro- (9CI)
Identifiers & Physical Properties
| CAS No. | 95909-85-6 |
|---|---|
| Molecular formula | C17H20N2O |
| Average molar mass | 268.35 g/mol |
| Monoisotopic mass | 268.15756327 g/mol |
| SMILES | OC1C[C@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23 |
| InChIKey | KOIGYXJOGRVNIS-HAIWGOBWSA-N |
| PubChem CID | 175657 |
| DTXSID | DTXSID10914740 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 28.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 400 |
| Boiling point | 482.5±45.0 °C(Predicted) |
| Density | 1.46±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.28±0.20(Predicted) |