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13286-63-0

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Basic Information
CAS No.: 13286-63-0
Name: (1R,2R)-(+)-2-AMINO-1,2-DIPHENYLETHANOL
Article Data: 99
Molecular Structure:
Molecular Structure of 13286-63-0 ((1R,2R)-(+)-2-AMINO-1,2-DIPHENYLETHANOL)
Formula: C14H15NO
Molecular Weight: 213.279
Synonyms: Benzeneethanol,b-amino-a-phenyl-, (R*,R*)-;Ethanol, 2-amino-1,2-diphenyl-,threo- (8CI);(1R,2R)-(+)-2-Amino-1,2-diphenylethanol;(1R,2R)-2-Amino-1,2-diphenylethanol;
Density: 1.148 g/cm3
Melting Point: 116-117 °C
Boiling Point: 374.3 °C at 760 mmHg
Flash Point: 180.2 °C
PSA: 46.25000
LogP: 3.12030
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Specification

The CAS register number of Benzeneethanol,b-amino-a-phenyl-, (aR,bR)-rel- is 13286-63-0. It also can be called as (1R,2R)-(+)-2-Amino-1,2-diphenylethanol and the systematic name about this chemical is 2-amino-1,2-diphenylethanol. The molecular formula about this chemical is C14H15NO and the molecular weight is 213.27.

Physical properties about Benzeneethanol,b-amino-a-phenyl-, (aR,bR)-rel- are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): -0.73; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5.9; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 65.36 cm3; (14)Molar Volume: 185.6 cm3; (15)Polarizability: 25.91x10-24cm3; (16)Surface Tension: 52.2 dyne/cm; (17)Density: 1.148 g/cm3; (18)Flash Point: 180.2 °C; (19)Enthalpy of Vaporization: 65.58 kJ/mol; (20)Boiling Point: 374.3 °C at 760 mmHg; (21)Vapour Pressure: 2.88E-06 mmHg at 25 °C.

Preparation: this chemical can be prepared by benzoin oxime. This reaction will need reagents of HCl, H2 and solvent of ethanol. The reaction needs catalytic agent of 5percent Pd/C. The reaction time is 2.5 hours with reaction pressure of 5percent Pd/C. The yield is about 98%.

Benzeneethanol,b-amino-a-phenyl-, (aR,bR)-rel- can be prepared by benzoin oxime.

Uses of Benzeneethanol,b-amino-a-phenyl-, (aR,bR)-rel-: it can be used to produce (1S,2R)-2-amino-1,2-diphenyl-ethanol. The yield is about 46%.

Benzeneethanol,b-amino-a-phenyl-, (aR,bR)-rel- can be prepared by benzoin oxime.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)C(c2ccccc2)N
(2)InChI: InChI=1/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2
(3)InChIKey: GEJJWYZZKKKSEV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2
(5)Std. InChIKey: GEJJWYZZKKKSEV-UHFFFAOYSA-N