-
Name
(alphaR)-rel-alpha-[(1R)-2-(Dimethylamino)-1-methylethyl]-alpha-ethyl-3-methoxybenzenemethanol
- EINECS
- CAS No. 175590-76-8
- Article Data12
- CAS DataBase
- Density 1 g/cm3
- Solubility
- Melting Point
- Formula C15H25NO2
- Boiling Point 362.901 °C at 760 mmHg
- Molecular Weight 251.36
- Flash Point 173.277 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;
- PSA
- LogP
(2R,3R)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methyl-3-pentanol 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
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