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144830-18-2

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Basic Information
CAS No.: 144830-18-2
Name: (+)-(1R,2R)-O,N-DI-DESMETHYL TRAMADOL HCL
Molecular Structure:
Molecular Structure of 144830-18-2 ((+)-(1R,2R)-O,N-DI-DESMETHYL TRAMADOL HCL)
Formula: C14H21NO2
Molecular Weight: 235.326
Synonyms: Phenol,3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, (1R-cis)-;
Density: 1.116 g/cm3
Melting Point: 71-73 °C
Boiling Point: 407.907 °C at 760 mmHg
Flash Point: 144.933 °C
Appearance: White Solid
PSA: 52.49000
LogP: 2.38030
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    (+)-(1R,2R)-O,N-DI-DESMETHYL TRAMADOL HCLCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

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: 52.49Å2; (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