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Basic Information
CAS No.: 331763-55-4
Name: (R)-3-AMINO-4-(3-CHLORO-PHENYL)-BUTYRIC ACID HCL
Molecular Structure:
Molecular Structure of 331763-55-4 ((R)-3-AMINO-4-(3-CHLORO-PHENYL)-BUTYRIC ACID HCL)
Formula: C10H13Cl2NO2
Molecular Weight: 250.12
Synonyms: Benzenebutanoicacid, b-amino-3-chloro-, hydrochloride,(βR)- (9CI);(R)-3-Amino-4-(3-chlorophenyl)butanoicacid hydrochloride;(3R)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochloride;(R)-3-amino-4-(3-chloro-phenyl)-butyric acid-HCl;Benzenebutanoic acid, β-amino-3-chloro-, (βR)-, hydrochloride (1:1);
Boiling Point: 388.4 °C at 760 mmHg
Flash Point: 188.7 °C
PSA: 63.32000
LogP: 3.18680
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Specification

The Benzenebutanoic acid, β-amino-3-chloro-, hydrochloride(1:1), (βR)-, with the CAS registry number 331763-55-4, is also known as (R)-3-amino-4-(3-chloro-phenyl)-butyric acid-HCl. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C10H13Cl2NO2 and molecular weight is 250.12. What's more, its systematic name is (3R)-3-Amino-4-(3-chlorophenyl)butanoic acid hydrochloride.

Physical properties of Benzenebutanoic acid, β-amino-3-chloro-, hydrochloride(1:1), (βR)- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 63.32 Å2; (7)Flash Point: 188.7 °C; (8)Enthalpy of Vaporization: 67.25 kJ/mol; (9)Boiling Point: 388.4 °C at 760 mmHg; (10)Vapour Pressure: 9.95E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1cc(C[C@@H](N)CC(O)=O)ccc1
(2)InChI: InChI=1S/C10H12ClNO2.ClH/c11-8-3-1-2-7(4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m1./s1
(3)InChIKey: MRFPEMYQUCEGDY-SBSPUUFOSA-N