HuagongsheHuagongshe Chemistry Print Report · For research reference only
(+-)-Norketamine
norketamine · 2-amino-2-(2-chlorophenyl)cyclohexanone · 2-Amino-2-(2-Chlorophenyl)Cyclohexan-1-One · NorketamineHCl · NORKETAMINEFREEFORM · NORKETAMINE HYDROCHLORIDE · (+/-)-NORKETAMINE HYDROCHLORIDE · Norketamine (1 mg/ml in Acetonitrile)
Identifiers & Physical Properties
| CAS No. | 35211-10-0 |
|---|---|
| Molecular formula | C12H14ClNO |
| Average molar mass | 223.7 g/mol |
| Monoisotopic mass | 223.0763918 g/mol |
| SMILES | NC1(c2ccccc2Cl)CCCCC1=O |
| InChIKey | BEQZHFIKTBVCAU-UHFFFAOYSA-N |
| PubChem CID | 123767 |
| ChEMBL | CHEMBL1039 |
| ChEBI | CHEBI:91519 |
| DTXSID | DTXSID40891434 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 43.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 256 |
| Drugs | Pharmaceuticals -> Illicit drugs |
| Collision Cross Section | 147.1 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]139.89 Ų [M+H-NH3]+ |
| Boiling point | 368.6±42.0 °C(Predicted) |
| Density | 1.208±0.06 g/cm3(Predicted) |
| Storage conditions | Desiccate at RT |
| pKa (acidity coefficient) | pKa 6.7 (Uncertain) |
| FDA UNII | XQY6JVF94X |
Applications & Uses
Uses
A labelled metabolite of Ketamine (K165300).
Uses
A metabolite of Ketamine (K165300).