HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Undecylpyridin-1-ium bromide
Identifiers & Physical Properties
| CAS No. | 78906-84-0 |
|---|---|
| Molecular formula | C16H28BrN |
| Average molar mass | 314.3 g/mol |
| Monoisotopic mass | 313.14051 g/mol |
| SMILES | CCCCCCCCCCC[n+]1ccccc1.[Br-] |
| InChIKey | IDKTXLNOKRZIDS-UHFFFAOYSA-M |
| PubChem CID | 21151237 |
| DTXSID | DTXSID10611085 |
Chemical & Physical Properties
| Topological polar surface area | 3.9 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 10 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 150 |