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147762-57-0

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Basic Information
CAS No.: 147762-57-0
Name: (+)-N-Desmethyl Tramadol
Article Data: 4
Molecular Structure:
Molecular Structure of 147762-57-0 ((+)-N-Desmethyl Tramadol)
Formula: C15H23NO2
Molecular Weight: 249.353
Synonyms: Cyclohexanol,1-(3-methoxyphenyl)-2-[(methylamino)methyl]-, cis-(+)-;
Density: 1.055 g/cm3
Boiling Point: 389.494 °C at 760 mmHg
Flash Point: 189.359 °C
PSA: 41.49000
LogP: 2.68330
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Specification

The (+)-N-Desmethyl Tramadol is an organic compound with the formula C15H23NO2. With the CAS registry number 147762-57-0, the systematic name of this chemical is (1S,2S)-1-(3-methoxyphenyl)-2-[(methylamino)methyl]cyclohexanol. The product's categories are Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals.

Physical properties about (+)-N-Desmethyl Tramadol are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 41.49 Å2; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 73.21 cm3; (14)Molar Volume: 236.446 cm3; (15)Polarizability: 29.023×10-24cm3; (16)Surface Tension: 39.693 dyne/cm; (17)Density: 1.055 g/cm3; (18)Flash Point: 189.359 °C; (19)Enthalpy of Vaporization: 67.38 kJ/mol; (20)Boiling Point: 389.494 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@]2(c1cc(OC)ccc1)CCCC[C@H]2CNC
(2)InChI: InChI=1/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1
(3)InChIKey: VUMQHLSPUAFKKK-DZGCQCFKBC
(4)Std. InChI: InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1
(5)Std. InChIKey: VUMQHLSPUAFKKK-DZGCQCFKSA-N