HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(1-Amino-3-hydroxypropyl)-2-methoxyphenol
(R)-3-(3-Hydroxy-4-methoxyphenyl)-β-alaninol · 3-(3-HYDROXY-4-METHOXYPHENYL)-DL-BETA-ALANINOL · gamma-Amino-3-hydroxy-4-methoxy-benzenepropanol · Benzenepropanol, .gamma.-amino-3-hydroxy-4-methoxy-
Identifiers & Physical Properties
| CAS No. | 886366-32-1 |
|---|---|
| Molecular formula | C10H15NO3 |
| Average molar mass | 197.23 g/mol |
| Monoisotopic mass | 197.10519334 g/mol |
| SMILES | COc1ccc(C(N)CCO)cc1O |
| InChIKey | OXSZTNZUDMWDOJ-UHFFFAOYSA-N |
| PubChem CID | 44891237 |
| DTXSID | DTXSID40661558 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 75.7 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 165 |
| Boiling point | 399.3±42.0 °C(Predicted) |
| Density | 1.209±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 9.82±0.10(Predicted) |