HuagongsheHuagongshe Chemistry Print Report · For research reference only
Iodocholine ion
Identifiers & Physical Properties
| CAS No. | 44519-11-1 |
|---|---|
| Molecular formula | C5H13IN+ |
| Average molar mass | 214.07 g/mol |
| Monoisotopic mass | 214.00927 g/mol |
| SMILES | C[N+](C)(C)CCI |
| InChIKey | NWKKUJPMZHQVOB-UHFFFAOYSA-N |
| PubChem CID | 21189 |
| ChEMBL | CHEMBL116475 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 2 |
| Heavy atoms | 7 |
| Formal charge | 1 |
| Complexity | 46.5 |