1867-66-9

 The Ketamine hydrochloride, with the CAS registry number 1867-66-9,is also known as (+/-)-2-(2-Chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C13H16ClNO.HCl and molecular weight is 274.19. What's more,Its systematic name is Ketamine hydrochloride. It is a off-white solid which is a cyclohexanone derivative used for induction of anesthesia. its mechanism of action is not well understood, but ketamine can block nmda receptors (receptors, n-methyl-d-aspartate) and may interact with sigma receptors. Ketamine hydrochloride is harmful if swallowed and irritating to eyes, respiratory system and skin .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about Ketamine hydrochloride are:
(1)ACD/LogP:  3.012; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  2.01; (4)ACD/LogD (pH 7.4):  2.97; (5)ACD/BCF (pH 5.5):  11.46; (6)ACD/BCF (pH 7.4):  102.86; (7)ACD/KOC (pH 5.5):  103.64; (8)ACD/KOC (pH 7.4):  930.33; (9)#H bond acceptors:  2; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  2; (12)Index of Refraction:  1.562; (13)Molar Refractivity:  65.724 cm3; (14)Molar Volume:  202.594 cm3; (15)Polarizability:  26.055 10-24cm3 ; (16)Surface Tension:  43.8880004882813 dyne/cm; (17)Density:  1.173 g/cm3; (18)Flash Point:  173.816 °C; (19)Enthalpy of Vaporization:  60.99 kJ/mol; (20)Boiling Point:  363.792 °C at 760 mmHg; (21)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CNC1(CCCCC1=O)c2ccccc2Cl;
(2)Std. InChI:InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3;
(3)Std. InChIKey:YQEZLKZALYSWHR-UHFFFAOYSA-N.

The toxicity data of Ketamine hydrochloride are as follows: