HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Dodecylpyridinium sulphate (2:1)
Identifiers & Physical Properties
| CAS No. | 20779-74-2 |
|---|---|
| Molecular formula | C34H60N2O4S |
| Average molar mass | 592.9 g/mol |
| Monoisotopic mass | 592.42737957 g/mol |
| SMILES | CCCCCCCCCCCC[n+]1ccccc1.CCCCCCCCCCCC[n+]1ccccc1.O=S(=O)([O-])[O-] |
| InChIKey | LFYSWCFSJAZQJJ-UHFFFAOYSA-L |
| PubChem CID | 88694 |
| EC No. | 244-032-5 |
| DTXSID | DTXSID80942994 |
Chemical & Physical Properties
| Topological polar surface area | 96.4 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 22 |
| Heavy atoms | 41 |
| Formal charge | 0 |
| Complexity | 223 |