BOC-(S)-3-AMINO-4-(4-CHLORO-PHENYL)-BUTYRIC ACID

The Boc-(S)-3-Amino-4-(4-chlorophenyl)butyric acid with its cas register number is 270596-42-4. It also can be called as (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(4-chlorophenyl)butyric acid and the Systematic name about this chemical is (3S)-3-[(tert-butoxycarbonyl)amino]-4-(4-chlorophenyl)butanoic acid. It belongs to the following product categories, such as 3-Amino-4-phenylbutyric Acid Analogs, 3-Amino-4-phenylbutanoic Acid Analogs, B-Amino and so on. When you are using this chemical, please not breathe dust and avoid contact with skin and eyes.

Physical properties about Boc-(S)-3-Amino-4-(4-chlorophenyl)butyric acid are: (1)ACD/LogP: 3.78; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 23.79; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 147.23; (7)ACD/KOC (pH 7.4): 2.43; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 55.84Ų; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 79.98 cm³; (14)Molar Volume: 257 cm³; (15)Polarizability: 31.7x10^-24cm³; (16)Surface Tension: 44.8 dyne/cm; (17)Enthalpy of Vaporization: 77.16 kJ/mol; (18)Vapour Pressure: 1.23E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C[C@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C15H20ClNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
(3)InChIKey: XHNLLTGZBXJRGH-LBPRGKRZBG
(4)Std. InChI: InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
(5)Std. InChIKey: XHNLLTGZBXJRGH-LBPRGKRZSA-N