BOC-(R)-3-AMINO-4-(3-TRIFLUOROMETHYL-PHENYL)-BUTYRIC ACID

The CAS register number of Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)-,(bR)- is 269726-74-1. It also can be called as Boc-(R)-3-amino-4-(3-trifluoromethyl-phenyl)-butyric acid and the systematic name about this chemical is (3R)-3-[(tert-butoxycarbonyl)amino]-4-[3-(trifluoromethyl)phenyl]butanoic acid. The molecular formula about this chemical is C₁₆H₂₀F₃NO₄ and the molecular weight is 347.33. It belongs to the following product categories which include 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino and so on. This chemical is irritant.

Physical properties about Benzenebutanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethyl)-,(bR)- are: (1)ACD/LogP: 3.75; (2)ACD/LogD (pH 5.5): 2.49; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 22.91; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 143.41; (7)ACD/KOC (pH 7.4): 2.37; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.486; (13)Molar Refractivity: 80.07 cm³; (14)Molar Volume: 278.6 cm³; (15)Polarizability: 31.74x10^-24cm³; (16)Surface Tension: 36.8 dyne/cm; (17)Density: 1.246 g/cm³; (18)Flash Point: 221 °C; (19)Enthalpy of Vaporization: 73.69 kJ/mol; (20)Boiling Point: 441.8 °C at 760 mmHg; (21)Vapour Pressure: 1.39E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-5-4-6-11(7-10)16(17,18)19/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m1/s1
(3)InChIKey: ATUJVGXTABSYTK-GFCCVEGCBV
(4)Std. InChI: InChI=1S/C16H20F3NO4/c1-15(2,3)24-14(23)20-12(9-13(21)22)8-10-5-4-6-11(7-10)16(17,18)19/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,22)/t12-/m1/s1
(5)Std. InChIKey: ATUJVGXTABSYTK-GFCCVEGCSA-N