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Basic Information
CAS No.: 175774-12-6
Name: (2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol hydrochloride
Molecular Structure:
Molecular Structure of 175774-12-6 ((2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol hydrochloride)
Formula: C15H26ClNO
Molecular Weight: 287.83
Synonyms: (2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol hydrochloride (1:1);
Boiling Point: 362.9 °C at 760 mmHg
Flash Point: 173.3 °C
PSA: 32.70000
LogP: 3.29250
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Specification

The (2R, 3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol hydrochloride, with the CAS registry number 175774-12-6, is also known as (2R, 3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol hydrochloride. This chemical's molecular formula is C15H26ClNO and molecular weight is 287.83. What's more, its systematic name is (2R, 3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol hydrochloride (1:1).

Physical properties about (2R, 3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol hydrochloride are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 21.7 Å2; (7)Flash Point: 173.3 °C; (8)Enthalpy of Vaporization: 64.25 kJ/mol; (9)Boiling Point: 362.9 °C at 760 mmHg; (10)Vapour Pressure: 6.67E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O(c1cc(ccc1)[C@@](O)(CC)[C@H](C)CN(C)C)C
(2) InChI: InChI=1/C15H25NO2.ClH/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;1H/t12-,15-;/m1./s1
(3) InChIKey: JWPQTVRDQHIIHD-XRZFDKQNBR