HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pyrrolidine, 3-(3-benzyloxyphenyl)-3-propyl-
3-[m-(Benzyloxy)phenyl]-3-propylpyrrolidine · Pyrrolidine, 3-[3-(phenylmethoxy)phenyl]-3-propyl-

Identifiers & Physical Properties
| CAS No. | 27443-56-7 |
|---|---|
| Molecular formula | C20H25NO |
| Average molar mass | 295.4 g/mol |
| Monoisotopic mass | 295.19361442 g/mol |
| SMILES | CCCC1(c2cccc(OCc3ccccc3)c2)CCNC1 |
| InChIKey | NLJPWCQDTXGATR-UHFFFAOYSA-N |
| PubChem CID | 213973 |
| DTXSID | DTXSID90950121 |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 21.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 6 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 326 |
| Melting point | 64-66 °C(Solv: ligroine (8032-32-4)) |
| Boiling point | 435.4±40.0 °C(Predicted) |
| Density | 1.032±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 10.10±0.10(Predicted) |