HuagongsheHuagongshe Chemistry Print Report · For research reference only
SK&F 40652A
N-Ethyl-β-methoxy-3-(trifluoromethyl)phenethylamine · Benzeneethanamine, N-ethyl-β-methoxy-3-(trifluoromethyl)-
Identifiers & Physical Properties
| CAS No. | 15235-27-5 |
|---|---|
| Molecular formula | C12H16F3NO |
| Average molar mass | 247.26 g/mol |
| Monoisotopic mass | 247.11839862 g/mol |
| SMILES | CCNCC(OC)c1cccc(C(F)(F)F)c1 |
| InChIKey | JGJJZSVNDGGHNA-UHFFFAOYSA-N |
| PubChem CID | 192913 |
| DTXSID | DTXSID30934480 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 21.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 220 |
| Boiling point | 247.1±35.0 °C(Predicted) |
| Density | 1.117±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 8.92±0.28(Predicted) |