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1213037-93-4

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Basic Information
CAS No.: 1213037-93-4
Name: (gammaR)-gamma-Amino-4-bromobenzenepropanol
Article Data: 3
Molecular Structure:
Molecular Structure of 1213037-93-4 ((gammaR)-gamma-Amino-4-bromobenzenepropanol)
Formula: C9H12BrNO
Molecular Weight: 230.10
Synonyms: (3R)-3-Amino-3-(4-bromophenyl)propan-1-ol;Benzenepropanol, gamma-amino-4-bromo-, (gammaR)-;
Density: 1.466g/cm3
Boiling Point: 348.6 °C at 760 mmHg
Flash Point: 164.6 °C
PSA: 46.25000
LogP: 2.53160
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Specification

The (3R)-3-Amino-3-(4-bromophenyl)propanol, with cas registry number 1213037-93-4, has the systematic name of (3R)-3-amino-3-(4-bromophenyl)propan-1-ol. And it is also called Benzenepropanol, gamma-amino-4-bromo-, (gammaR)-.

Physical properties about this chemical are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 46.25 Å2; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 53.19 cm3; (9)Molar Volume: 156.8 cm3; (10)Polarizability: 21.08×10-24cm3; (11)Surface Tension: 50.6 dyne/cm; (12)Enthalpy of Vaporization: 62.58 kJ/mol; (13)Vapour Pressure: 1.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: N[C@H](CCO)c1ccc(Br)cc1
(2)InChI: InChI=1/C9H12BrNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
(3)InChIKey: XWXQMFXVRNFZOH-SECBINFHBQ
(4)Std. InChI: InChI=1S/C9H12BrNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
(5)Std. InChIKey: XWXQMFXVRNFZOH-SECBINFHSA-N