100477-72-3
Product Name:
2-(2-CHLOROPHENYL)-2-(METHYLAMINO)CYCLOHEXAN-1-ONE
Formula:
C13H16ClNO
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from pentane-ether |
| Melting Point | 92.5ºC |
| Solubility | Soluble |
| LogP | 3.12 |
| Stability/Shelf Life | Stable under recommended storage conditions. /Ketamine hydrochloride/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /chloride/ and /nitrogen oxides/. |
| pH | pH of 10% aqueous solution: 3.5 |
| Dissociation Constants | 7.5 |
| Collision Cross Section | 149.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 1861 1805 1830 1820 1853.8 1843 |
COMPUTED DESCRIPTORS
| Molecular Weight | 237.72 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 237.0920418 g/mol |
| Monoisotopic Mass | 237.0920418 g/mol |
| Topological Polar Surface Area | 29.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 269 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ketamine is a member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. It has a role as an intravenous anaesthetic, a NMDA receptor antagonist, an analgesic, a neurotoxin, an environmental contaminant and a xenobiotic. It is a member of cyclohexanones, a secondary amino compound and a member of monochlorobenzenes.