Benzenebutanoic acid, b-amino-4-chloro-, (bS)- (270596-41-3)

 The (S)-3-Amino-4-(4-chlorophenyl)butyric acid hydrochloride, with the cas registry number 270596-41-3, has the systematic name of (3S)-3-amino-4-(4-chlorophenyl)butanoic acid hydrochloride. And its product categories are various, including 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; API intermediates and B-Amino.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.58; (4)ACD/LogD (pH 7.4): -0.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 171.6 °C; (14)Enthalpy of Vaporization: 63.93 kJ/mol; (15)Boiling Point: 360.2 °C at 760 mmHg; (16)Vapour Pressure: 8.13E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(cc1)C[C@H](N)CC(=O)O.Cl
(2)InChI: InChI=1/C10H12ClNO2.ClH/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);1H/t9-;/m0./s1
(3)InChIKey: PUVXCDYJZZWKMH-FVGYRXGTBL