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Benzeneethanol, β-[(1-methylethyl)amino]-α-phenyl-, (αR,βS)-rel-

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Name

Benzeneethanol, β-[(1-methylethyl)amino]-α-phenyl-, (αR,βS)-rel-

EINECS N/A
CAS No. 71653-81-1 Density 1.061 g/cm3
PSA 32.26000 LogP 3.85020
Solubility N/A Melting Point N/A
Formula C17H21NO Boiling Point 378.1 °C at 760 mmHg
Molecular Weight 255.36 Flash Point 98.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 71653-81-1 ((1R,2S)-2-(ISOPROPYLAMINO)-1,2-DIPHENYLETHANOL) Hazard Symbols N/A
Synonyms

Benzeneethanol,b-[(1-methylethyl)amino]-a-phenyl-, (R*,S*)-;

Article Data 3

Benzeneethanol, β-[(1-methylethyl)amino]-α-phenyl-, (αR,βS)-rel- Specification

This chemical is called Benzeneethanol, β-[(1-methylethyl)amino]-α-phenyl-, (αR,βS)-rel-, and its systematic name is (1R,2S)-1,2-diphenyl-2-(propan-2-ylamino)ethanol. With the molecular formula of C17H21NO, its molecular weight is 255.35. The CAS registry number of this chemical is 71653-81-1.

Other characteristics of the Benzeneethanol, β-[(1-methylethyl)amino]-α-phenyl-, (αR,βS)-rel- can be summarised as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 79.28 cm3; (9)Molar Volume: 240.6 cm3; (10)Polarizability: 31.42×10-24cm3; (11)Surface Tension: 42.5 dyne/cm; (12)Density: 1.061 g/cm3; (13)Flash Point: 98.2 °C; (14)Enthalpy of Vaporization: 66.03 kJ/mol; (15)Boiling Point: 378.1 °C at 760 mmHg; (16)Vapour Pressure: 2.17E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O[C@H](c1ccccc1)[C@H](c2ccccc2)NC(C)C
2.InChI: InChI=1/C17H21NO/c1-13(2)18-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3/t16-,17+/m0/s1
3.InChIKey: ILABSMRKFLZNPK-DLBZAZTEBS

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