HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diphemethoxidine
JB 8035 · BA 18189 · BRN 1651678 · Difemetorex · Difemetorexum · Diphemetoxidine · Diphemethoxidine · 2-(Diphenylmethyl)-1-piperidineethanol

Identifiers & Physical Properties
| CAS No. | 13862-07-2 |
|---|---|
| Molecular formula | C20H25NO |
| Average molar mass | 295.4 g/mol |
| Monoisotopic mass | 295.19361442 g/mol |
| SMILES | OCCN1CCCCC1C(c1ccccc1)c1ccccc1 |
| InChIKey | UHZJPVXMMCFPNR-UHFFFAOYSA-N |
| PubChem CID | 65607 |
| ChEMBL | CHEMBL2104291 |
| ChEBI | CHEBI:135241 |
| DTXSID | DTXSID20864449 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 23.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 289 |
| Melting point | 106-107° |
| Boiling point | bp0.1 180-181° |
| Density | 1.0389 (rough estimate) |
| Refractive index | 1.5614 (estimate) |
| FDA UNII | O0417MPF6W |