HuagongsheHuagongshe Chemistry Print Report · For research reference only
(4-Phenylpyrrolidin-3-yl)methanol
((3R,4S)-4-Phenylpyrrolidin-3-yl)methanol · 3-Pyrrolidinemethanol, 4-phenyl-, (3R,4S)- · (3R,4S)-3-hydroxymethyl-4-phenylpyrrolidine · (3R,4S)-3-hydroxymethyl-4-phenylpyrrolidine hydrochloride

Identifiers & Physical Properties
| CAS No. | 848307-24-4 |
|---|---|
| Molecular formula | C11H15NO |
| Average molar mass | 177.24 g/mol |
| Monoisotopic mass | 177.1153641 g/mol |
| SMILES | OCC1CNCC1c1ccccc1 |
| InChIKey | MMDOXIYRYUVGPQ-UHFFFAOYSA-N |
| PubChem CID | 13316928 |
| DTXSID | DTXSID40536595 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 32.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 154 |
| Boiling point | 316.1±25.0 °C(Predicted) |
| Density | 1.058±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.93±0.10(Predicted) |
| CAS DataBase Reference | 848307-24-4(CAS DataBase Reference) |