CAS No.175590-76-8,(alphaR)-rel-alpha-[(1R)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol Suppliers

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Molecular Structure:
CAS No.:	175590-76-8
Name:	(alphaR)-rel-alpha-[(1R)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol
Article Data:	12

Formula:	C₁₅H₂₅NO₂
Molecular Weight:	251.36
Synonyms:	(2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;
Density:	1 g/cm³
Boiling Point:	362.901 °C at 760 mmHg
Flash Point:	173.277 °C

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Specification

The (2R, 3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol has CAS registry number 175590-76-8. This chemical's molecular formula is C₁₅H₂₅NO₂ and molecular weight is 251.36. What's more, its systematic name is (2R, 3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol.

Physical properties about (2R, 3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol are: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 32.7 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 75.065 cm³; (15)Molar Volume: 251.286 cm³; (16)Polarizability: 29.758×10^-24 cm³; (17)Surface Tension: 34.936 dyne/cm; (18)Density: 1 g/cm³; (19)Flash Point: 173.277 °C; (20)Enthalpy of Vaporization: 64.245 kJ/mol; (21)Boiling Point: 362.901 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(ccc1)[C@@](O)(CC)[C@H](C)CN(C)C)C
(2) InChI: InChI=1/C15H25NO2/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5/h7-10,12,17H,6,11H2,1-5H3/t12-,15-/m1/s1
(3) InChIKey: PZNRRUTVGXCKFC-IUODEOHRBC