HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(Pyridin-4-yl)pyrrolidin-3-ol
1-(pyridin-4-yl)pyrrolidin-3-ol · 3-Pyrrolidinol, 1-(4-pyridinyl)- · 1-(pyridin-4-yl)-3-hydroxypyrrolidine · 1-(4-Pyridinyl)-3-pyrrolidinol - [AC80284]

Identifiers & Physical Properties
| CAS No. | 116721-57-4 |
|---|---|
| Molecular formula | C9H12N2O |
| Average molar mass | 164.2 g/mol |
| Monoisotopic mass | 164.09496301 g/mol |
| SMILES | OC1CCN(c2ccncc2)C1 |
| InChIKey | HHYWFIGUFNRYPN-UHFFFAOYSA-N |
| PubChem CID | 21906198 |
| DTXSID | DTXSID60619854 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 36.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 145 |
| Boiling point | 327.1±32.0 °C(Predicted) |
| Density | 1.223±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.48±0.20(Predicted) |