HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-{[2-(Benzyloxy)benzyl]amino}butan-1-ol
2-{[2-(benzyloxy)benzyl]amino}-1-butanol · 1-Butanol, 2-[[[2-(phenylmethoxy)phenyl]methyl]amino]-
![2-{[2-(Benzyloxy)benzyl]amino}butan-1-ol molecular structure](/img/chemical/178819853.png)
Identifiers & Physical Properties
| CAS No. | 861442-57-1 |
|---|---|
| Molecular formula | C18H23NO2 |
| Average molar mass | 285.4 g/mol |
| SMILES | CCC(CO)NCc1ccccc1OCc1ccccc1 |
| InChIKey | RBIDXKYFWJTIMW-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 41.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 8 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 266 |
| Boiling point | 445.0±30.0 °C(Predicted) |
| Density | 1.084±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.71±0.10(Predicted) |