HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Aminomethyl)-2-bromophenol
RARECHEM AL BW 0768 · 3-Bromo-4-hydroxybenzylamine · 4-(aminomethyl)-2-bromophenol · Phenol, 4-(aminomethyl)-2-bromo-
Identifiers & Physical Properties
| CAS No. | 63491-88-3 |
|---|---|
| Molecular formula | C7H8BrNO |
| Average molar mass | 202.05 g/mol |
| Monoisotopic mass | 200.97893 g/mol |
| SMILES | NCc1ccc(O)c(Br)c1 |
| InChIKey | AOZGJQUAZCZJOH-UHFFFAOYSA-N |
| PubChem CID | 12376512 |
| ChEMBL | CHEMBL217798 |
| DTXSID | DTXSID00495139 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 46.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 110 |
| Boiling point | 287.3±25.0 °C(Predicted) |
| Density | 1.628±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.44±0.31(Predicted) |