DL-4-Amino-2-fluorobutyric acid

The CAS registry number of DL-4-Amino-2-fluorobutyric acid is 34069-57-3. This chemical is also named as Butanoic acid, 4-amino-2-fluoro-. In addition, its molecular formula is C₄H₈FNO₂ and molecular weight is 121.11. Its systematic name is called 4-amino-2-fluorobutanoic acid. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about DL-4-Amino-2-fluorobutyric acid are: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.9; (4)ACD/LogD (pH 7.4): -2.9; (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)Index of Refraction: 1.435; (13)Molar Refractivity: 25.8 cm³; (14)Molar Volume: 98.6 cm³; (15)Surface Tension: 40.5 dyne/cm; (16)Density: 1.227 g/cm³; (17)Flash Point: 107.2 °C; (18)Enthalpy of Vaporization: 54.07 kJ/mol; (19)Boiling Point: 253.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00559 mmHg at 25°C.

Preparation: this chemical can be prepared by γ-fluoroglutamic acid. This reaction is a kind of Decarboxylation. It will need reagents glutamic decarboxylase ex Escherichia coli, pyridoxal-5-phosphate and solvents NaOH, H₂O, pyridine. The reaction time is 48 hours with reaction temperature of 30 °C. The yield is about 100 %.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(C(=O)O)CCN
(2)InChI: InChI=1/C4H8FNO2/c5-3(1-2-6)4(7)8/h3H,1-2,6H2,(H,7,8)
(3)InChIKey: ASXBTBJGHQPOPY-UHFFFAOYAP