HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzoylcholine
Benzoylcholine · Benzoycholine · choline benzoate · O-Benzoylcholine · 2-Benzoyloxy-N,N,N-trimethylethanaminium · 2-(Benzoyloxy)-N,N,N-trimethylethanaminium
Identifiers & Physical Properties
| CAS No. | 2208-04-0 |
|---|---|
| Molecular formula | C12H18NO2+ |
| Average molar mass | 208.28 g/mol |
| Monoisotopic mass | 208.13375382 g/mol |
| SMILES | C[N+](C)(C)CCOC(=O)c1ccccc1 |
| InChIKey | HOPVGFKDVOOCHD-UHFFFAOYSA-N |
| PubChem CID | 16632 |
| ChEBI | CHEBI:177037 |
| DTXSID | DTXSID20176574 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 15 |
| Formal charge | 1 |
| Complexity | 202 |
| Melting point | 204-205 °C |