HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(3-(3-Amino-1-hydroxypropyl)phenyl)but-3-yn-1-ol
Identifiers & Physical Properties
| Molecular formula | C13H17NO2 |
|---|---|
| Average molar mass | 219.28 g/mol |
| Monoisotopic mass | 219.12592879 g/mol |
| SMILES | NCCC(O)c1cccc(C#CCCO)c1 |
| InChIKey | JATLNZRGFFJOKP-UHFFFAOYSA-N |
| PubChem CID | 25166340 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 66.5 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 253 |