Benzenebutanoic acid,4-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bS)- (270062-85-6)

The Boc-(S)-3-Amino-4-(4-bromophenyl)butyric acid with its cas register number is 270062-85-6. It also can be called as (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(4-bromophenyl)butyric acid and the Systematic name about this chemical is (3S)-4-(4-bromophenyl)-3-[(tert-butoxycarbonyl)amino]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.

Physical properties about Boc-(S)-3-Amino-4-(4-bromophenyl)butyric acid are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 32.41; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 183.69; (7)ACD/KOC (pH 7.4): 3.03; (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: 1.546; (13)Molar Refractivity: 82.78 cm³; (14)Molar Volume: 261.3 cm³; (15)Polarizability: 32.81x10^-24cm³; (16)Surface Tension: 45.7 dyne/cm; (17)Enthalpy of Vaporization: 79.91 kJ/mol; (18)Vapour Pressure: 1.71E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C[C@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C15H20BrNO4/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: GYXZKHKUVVKDHI-LBPRGKRZBL
(4)Std. InChI: InChI=1S/C15H20BrNO4/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: GYXZKHKUVVKDHI-LBPRGKRZSA-N