Benzeneethanol, α-phenyl-β-[(phenylmethyl)amino]-, (αS,βR)- supplier

Name
(1S,2R)-N-BENZYL-2-AMINO-1,2-DIPHENYLETHANOL
EINECS
CAS No. 153322-12-4
Article Data1
CAS DataBase
Density 1.132 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₁NO
Boiling Point 465.9 °C at 760 mmHg
Molecular Weight 303.4
Flash Point 122.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneethanol,a-phenyl-b-[(phenylmethyl)amino]-,[S-(R*,S*)]-;(1S,2R)-2-(Benzylamino)-1,2-diphenylethanol;(1S,2R)-2-Benzylamino-1,2-diphenyl-ethanol;(1S,2R)-N-Benzyl-2-amino-1,2-diphenylethanol;
PSA 32.26000
LogP 4.64200

Benzeneethanol, α-phenyl-β-[(phenylmethyl)amino]-, (αS,βR)- Specification

The Benzeneethanol, α-phenyl-β-[(phenylmethyl)amino]-, (αS,βR)-, with the CAS registry number 153322-12-4, is also known as (1S,2R)-N-Benzyl-2-amino-1,2-diphenylethanol. This chemical's molecular formula is C₂₁H₂₁NO and molecular weight is 303.4. What's more, its systematic name is (1S,2R)-2-(benzylamino)-1,2-diphenylethanol.

Physical properties of Benzeneethanol, α-phenyl-β-[(phenylmethyl)amino]-, (αS,βR)- are: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 26.35; (6)ACD/BCF (pH 7.4): 1113.6; (7)ACD/KOC (pH 5.5): 98.24; (8)ACD/KOC (pH 7.4): 4151.66; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 94.54 cm³; (15)Molar Volume: 267.9 cm³; (16)Polarizability: 37.48×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.132 g/cm³; (19)Flash Point: 122.2 °C; (20)Enthalpy of Vaporization: 76.66 kJ/mol; (21)Boiling Point: 465.9 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H](c1ccccc1)[C@H](NCc2ccccc2)c3ccccc3
(2)InChI: InChI=1S/C21H21NO/c23-21(19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)22-16-17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21+/m1/s1
(3)InChIKey: KKJGAZRIFJEPKA-RTWAWAEBSA-N

Product Name

(1S,2R)-N-BENZYL-2-AMINO-1,2-DIPHENYLETHANOL

Benzeneethanol, α-phenyl-β-[(phenylmethyl)amino]-, (αS,βR)- Specification

Related Products

Hot Products