Benzeneethanol,b-(cyclohexylamino)-a-phenyl-, (aR,bS)-rel- supplier

Name
(1R,2S)-2-(CYCLOHEXYLAMINO)-1,2-DIPHENYLETHANOL
EINECS
CAS No. 142508-08-5
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₂₀H₂₅NO
Boiling Point 438.2 °C at 760 mmHg
Molecular Weight 295.425
Flash Point 105 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneethanol, β-(cyclohexylamino)-α-phenyl-, (αR, βS)-;
PSA 32.26000
LogP 4.77450

Benzeneethanol,b-(cyclohexylamino)-a-phenyl-, (aR,bS)-rel- Specification

The Benzeneethanol, b-(cyclohexylamino)-a-phenyl-, (aR, bS)-rel-, with the CAS registry number 142508-08-5, is also known as Benzeneethanol, β-(cyclohexylamino)-α-phenyl-, (αR, βS)-. This chemical's molecular formula is C₂₀H₂₅NO and molecular weight is 295.42. What's more, its systematic name is (1R, 2S)-2-(Cyclohexylamino)-1, 2-diphenylethanol.

Physical properties about Benzeneethanol, b-(cyclohexylamino)-a-phenyl-, (aR, bS)-rel- are: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 3.48; (6)ACD/BCF (pH 7.4): 112.46; (7)ACD/KOC (pH 5.5): 13.02; (8)ACD/KOC (pH 7.4): 421.31; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 91.58 cm³; (15)Molar Volume: 269.2 cm³; (16)Polarizability: 36.3×10^-24 cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 105 °C; (20)Enthalpy of Vaporization: 73.25 kJ/mol; (21)Boiling Point: 438.2 °C at 760 mmHg; (22)Vapour Pressure: 1.87E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H](c1ccccc1)[C@@H](NC2CCCCC2)c3ccccc3
(2) InChI: InChI=1/C20H25NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-2,4-7,10-13,18-22H,3,8-9,14-15H2/t19-,20+/m0/s1
(3) InChIKey: AUJFQSIAONFRDP-VQTJNVASBK

Product Name

(1R,2S)-2-(CYCLOHEXYLAMINO)-1,2-DIPHENYLETHANOL

Benzeneethanol,b-(cyclohexylamino)-a-phenyl-, (aR,bS)-rel- Specification

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