Phenol,3-[(1R,2R)-1-hydroxy-2-[(methylamino)methyl]cyclohexyl]- (144830-18-2)

The cas register number of (+)-N,O-Di-Desmethyl Tramadol is 144830-18-2. It also can be called as Phenol,3-[(1R,2R)-1-hydroxy-2-[(methylamino)methyl]cyclohexyl]- and the Systematic name about this chemical is 3-[(1S,2S)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol. It belongs to the following product categories, such as Various Metabolites and Impurities, Intermediates & Fine Chemicals, Metabolites & Impurities, Pharmaceuticals and so on. This chemical can be used as an optically active metabolite of Tramadol.

Physical properties about (+)-N,O-Di-Desmethyl Tramadol are: (1)ACD/LogP: 1.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 52.49Ų; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 68.414 cm³; (12)Molar Volume: 210.874 cm³; (13)Polarizability: 27.121x10^-24cm³; (14)Surface Tension: 46.895 dyne/cm; (15)Enthalpy of Vaporization: 69.579 kJ/mol; (16)Boiling Point: 407.907 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CNC[C@@H]1CCCC[C@]1(c2cccc(c2)O)O
(2)InChI: InChI=1/C14H21NO2/c1-15-10-12-5-2-3-8-14(12,17)11-6-4-7-13(16)9-11/h4,6-7,9,12,15-17H,2-3,5,8,10H2,1H3/t12-,14+/m0/s1
(3)InChIKey: CJXNQQLTDXASSR-GXTWGEPZBS
(4)Std. InChI: InChI=1S/C14H21NO2/c1-15-10-12-5-2-3-8-14(12,17)11-6-4-7-13(16)9-11/h4,6-7,9,12,15-17H,2-3,5,8,10H2,1H3/t12-,14+/m0/s1
(5)Std. InChIKey: CJXNQQLTDXASSR-GXTWGEPZSA-N