Benzenepropanoic acid, b-amino-3-fluoro- (117391-51-2)

The 3-Amino-3-(3-fluorophenyl)propanoic acid with the cas number 117391-51-2, is also called 3-Fluorophenyl-beta-DL-alanine. Its molecular formula is C₉H₁₀FNO₂. This chemical belongs to the following product categories: (1)API intermediates; (2)B-Amino.

The properties of the chemical are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -1.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 45.53 cm³; (15)Molar Volume: 142 cm³; (16)Polarizability: 18.05×10^-24cm³; (17)Surface Tension: 51.4 dyne/cm; (18)Enthalpy of Vaporization: 57.67 kJ/mol ; (19)Vapour Pressure: 0.000353 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)C(N)CC(=O)O
(2)InChI: InChI=1/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)