HuagongsheHuagongshe Chemistry Print Report · For research reference only
Oxapium
Piperidinium, 1-[(2-cyclohexyl-2-phenyl-1,3-dioxolan-4-yl)methyl]-1-methyl- (8CI)
Identifiers & Physical Properties
| CAS No. | 17834-29-6 |
|---|---|
| Molecular formula | C22H34NO2+ |
| Average molar mass | 344.5 g/mol |
| Monoisotopic mass | 344.25895433 g/mol |
| SMILES | C[N+]1(CC2COC(c3ccccc3)(C3CCCCC3)O2)CCCCC1 |
| InChIKey | AXWZZEWIGNYBGA-UHFFFAOYSA-N |
| PubChem CID | 4613 |
| ChEMBL | CHEMBL1725250 |
| DTXSID | DTXSID3048235 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 18.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 25 |
| Formal charge | 1 |
| Complexity | 422 |
| FDA UNII | IK8HSQ3YBL |