HuagongsheHuagongshe Chemistry Print Report · For research reference only
trans-4-(Boc-amino)cyclohexyl methanesulfonate
trans-4-(BOC-aMino)cyclohexyl Mesylate · trans-4-(Boc-amino)cyclohexyl methanesulfonate · trans-4-((tert-Butoxycarbonyl)amino)cyclohexyl methanesulfonate · Carbamic acid, N-[trans-4-[(methylsulfonyl)oxy]cyclohexyl]-, 1,1-dimethylethyl ester
Identifiers & Physical Properties
| CAS No. | 177545-89-0 |
|---|---|
| Molecular formula | C12H23NO5S |
| Average molar mass | 293.38 g/mol |
| Monoisotopic mass | 293.12969384 g/mol |
| SMILES | CC(C)(C)OC(=O)NC1CCC(OS(C)(=O)=O)CC1 |
| InChIKey | AJDUFGPZEKPRSU-UHFFFAOYSA-N |
| PubChem CID | 21882613 |
| EC No. | 195-077-1 |
| DTXSID | DTXSID90619362 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 90.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 399 |
| Boiling point | 447.8±25.0 °C(Predicted) |
| Density | 1.18±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.03±0.40(Predicted) |