Benzenebutanoic acid, b-amino-4-bromo-, (bS)- (270062-84-5)

The (S)-3-Amino-4-(4-bromophenyl)butyric acid hydrochloride, with its CAS registry number 270062-84-5, has the systematic name of (3S)-3-amino-4-(4-bromophenyl)butanoic acid hydrochloride. And it has the product categories which are including 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino.

The characteristics of (S)-3-Amino-4-(4-bromophenyl)butyric acid hydrochloride are as follows: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.05; (8)ACD/KOC (pH 7.4): 1.05; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 ; (13)Flash Point: 188.2 °C; (14)Enthalpy of Vaporization: 67.15 kJ/mol; (15)Boiling Point: 387.6 °C at 760 mmHg; (16)Vapour Pressure: 1.06E-06 mmHg at 25°C.
 
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:Brc1ccc(cc1)C[C@H](N)CC(=O)O.Cl
(2)InChI:InChI=1/C10H12BrNO2.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:QMUGXLUXLGZZSC-FVGYRXGTBL