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Basic Information
CAS No.: 82171-33-3
Name: 2-AMINO-1-(3-CHLORO-PHENYL)-ETHANOL HCL
Molecular Structure:
Molecular Structure of 82171-33-3 (2-AMINO-1-(3-CHLORO-PHENYL)-ETHANOL HCL)
Formula: C8H11Cl2NO
Molecular Weight: 208.087
Synonyms: 2-AMINO-1-(3-CHLORO-PHENYL)-ETHANOL HCL;2-AMINO-1-(3-CHLOROPHENYL)ETHANOL HYDROCHLORIDE
Melting Point: 141 °C(Solv: chloroform (67-66-3))
Boiling Point: 348.9 °C at 760 mmHg
Flash Point: 164.8 °C
PSA: 46.25000
LogP: 2.83440
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Specification

The 2-Amino-1-(3-chlorophenyl)ethanol hydrochloride, with the CAS registry number 82171-33-3, is also known as 2-Amino-1-(3-chloro-phenyl)-ethanol HCl. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H11Cl2NO and molecular weight is 208.09. What's more, its IUPAC name is the same as its product name.

Physical properties about 2-Amino-1-(3-chlorophenyl)ethanol hydrochloride are: (1)ACD/LogP: 1.056; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1.00; (4)ACD/BCF (pH 7.4): 1.00; (5)ACD/KOC (pH 5.5): 1.00; (6)ACD/KOC (pH 7.4): 3.64; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.25 Å2; (11)Flash Point: 164.8 °C; (12)Enthalpy of Vaporization: 62.61 kJ/mol; (13)Boiling Point: 348.9 °C at 760 mmHg; (14)Vapour Pressure: 1.83E-05 mmHg at 25 °C.

Preparation of 2-Amino-1-(3-chlorophenyl)ethanol hydrochloride: this chemical can be prepared by 2-(3-chlorophenyl)-5,5-dimethyl-7,7a-diphenyl-2,3,5,7a-tetrahydroimidazo[5,1-b]oxazole. This reaction needs reagent HCl and solvent CH2Cl2 at temperature of °C. The reaction time is 24 hours. The yield is 20 %.

2-Amino-1-(3-chlorophenyl)ethanol hydrochloride can be prepared by 2-(3-chlorophenyl)-5,5-dimethyl-7,7a-diphenyl-2,3,5,7a-tetrahydroimidazo[5,1-b]oxazole.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.OC(CN)c1cc(Cl)ccc1
(2) InChI: InChI=1S/C8H10ClNO.ClH/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-4,8,11H,5,10H2;1H
(3) InChIKey: KEYKAIIHCHCFEO-UHFFFAOYSA-N