HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(2-(Cyclopropylamino)ethoxy)xanthone
3-(2-(cyclopropylamino)ethoxy)xanthone · 9H-Xanthen-9-one, 3-[2-(cyclopropylamino)ethoxy]-
Identifiers & Physical Properties
| CAS No. | 156497-45-9 |
|---|---|
| Molecular formula | C18H17NO3 |
| Average molar mass | 295.3 g/mol |
| Monoisotopic mass | 295.1208434 g/mol |
| SMILES | O=c1c2ccccc2oc2cc(OCCNC3CC3)ccc12 |
| InChIKey | JIJNTAROWYGSCC-UHFFFAOYSA-N |
| PubChem CID | 190842 |
| DTXSID | DTXSID40935468 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 47.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 409 |
| Boiling point | 479.3±45.0 °C(Predicted) |
| Density | 1.30±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.76±0.20(Predicted) |