HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Acetylpiperidin-4-yl 4-methylbenzenesulfonate
1-Acetylpiperidin-4-yl 4-Methylbenzenesulfonate · Toluene-4-sulfonic acid 1-acetyl-piperidin-4-yl ester · 1-4-(4-Methylphenyl)sulfonyloxy-1-piperidinylethanone · Ethanone, 1-[4-[[(4-methylphenyl)sulfonyl]oxy]-1-piperidinyl]-
Identifiers & Physical Properties
| CAS No. | 92531-11-8 |
|---|---|
| Molecular formula | C14H19NO4S |
| Average molar mass | 297.37 g/mol |
| SMILES | CC(=O)N1CCC(OS(=O)(=O)c2ccc(C)cc2)CC1 |
| InChIKey | WXRDAWFHZLGCQP-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 72.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 427 |
| Boiling point | 483.0±38.0 °C(Predicted) |
| Density | 1.28±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | -2.10±0.40(Predicted) |