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

The cas register number of Boc-(S)-3-Amino-4-(4-fluorophenyl)butyric acid is 218608-97-0. It also can be called as (S)-N-(tert-Butoxycarbonyl)-3-amino-4-(4-fluorophenyl)butyric acid and the Systematic name about this chemical is (3S)-3-[(tert-butoxycarbonyl)amino]-4-(4-fluorophenyl)butanoic acid. It belongs to the following product categories, such as 3-Amino-4-phenylbutanoic Acid Analogs, pharmacetical, B-Amino and so on.

Physical properties about Boc-(S)-3-Amino-4-(4-fluorophenyl)butyric acid are: (1)ACD/LogP: 3.23; (2)ACD/LogD (pH 5.5): 1.98; (3)ACD/LogD (pH 7.4): 0.2; (4)ACD/BCF (pH 5.5): 9.47; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 76.81; (7)ACD/KOC (pH 7.4): 1.26; (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: 1.514; (13)Molar Refractivity: 75.08 cm³; (14)Molar Volume: 249.3 cm³; (15)Polarizability: 29.76x10^-24cm³; (16)Surface Tension: 42.4 dyne/cm; (17)Enthalpy of Vaporization: 74.6 kJ/mol; (18)Boiling Point: 449.3 °C at 760 mmHg; (19)Vapour Pressure: 7.4E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C[C@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C15H20FNO4/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: KEGMJLZICKHWIR-LBPRGKRZBP
(4)Std. InChI: InChI=1S/C15H20FNO4/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: KEGMJLZICKHWIR-LBPRGKRZSA-N