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(7R, 8S)-7-(Dipropylamino)-8-methyl-tetralin-1-ol

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Name

(7R, 8S)-7-(Dipropylamino)-8-methyl-tetralin-1-ol

EINECS N/A
CAS No. 64425-86-1 Density 1.02 g/cm3
PSA 23.47000 LogP 3.93250
Solubility N/A Melting Point N/A
Formula C17H27NO Boiling Point 343.9 °C at 760 mmHg
Molecular Weight 261.402380 Flash Point 134 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 64425-86-1 (Alcohols, C13-15, ethoxylated) Hazard Symbols N/A
Synonyms

Alcohol-(C13-C15), ethoxylated;

 

(7R, 8S)-7-(Dipropylamino)-8-methyl-tetralin-1-ol Specification

The (7R, 8S)-7-(Dipropylamino)-8-methyl-tetralin-1-ol, with the CAS registry number of 64425-86-1, is also known as Alcohol-(C13-C15), ethoxylated. This chemical's molecular formula is C17H27NO and molecular weight is 261.402380. What's more, its IUPAC name is (7R, 8S)-7-(Dipropylamino)-8-methyl-5, 6, 7, 8-tetrahydronaphthalen-1-ol.

Physical properties about (7R, 8S)-7-(Dipropylamino)-8-methyl-tetralin-1-ol are: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 2.45; (6)ACD/BCF (pH 7.4): 40.02; (7)ACD/KOC (pH 5.5): 9.27; (8)ACD/KOC (pH 7.4): 151.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 81 cm3; (15)Molar Volume: 256 cm3; (16)Polarizability: 32.11×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 134 °C; (20)Enthalpy of Vaporization: 61.11 kJ/mol; (21)Boiling Point: 343.9 °C at 760 mmHg; (22)Vapour Pressure: 3.43E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cccc2c1[C@H](C)[C@H](N(CCC)CCC)CC2
(2) InChI: InChI=1/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-16(19)17(14)13(15)3/h6-8,13,15,19H,4-5,9-12H2,1-3H3/t13-,15-/m1/s1
(3) InChIKey: ZNLWDIZBTNNEHH-UKRRQHHQBR

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