| Identification | |
| Name: | (S)-4-Amino-3-(4-fluorophenyl)butanoic acid |
| Synonyms: | (S)-4-AMINO-3-(4-FLUOROPHENYL)BUTANOIC ACID |
| CAS: | 747371-90-0 |
| Molecular Formula: | C10H12FNO2 |
| Molecular Weight: | 197.21 |
| InChI: | InChI=1/C10H12FNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.244 g/cm3 |
| Refractive index: | 1.545 |
| Specification: |
The (S)-4-Amino-3-(4-fluorophenyl)butanoic acid, with the CAS registry number 747371-90-0, has the systematic name of benzenepropanoic acid, β-(aminomethyl)-4-fluoro-, (betaS)-. And the molecular formula of the chemical is C10H12FNO2. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 50.16 cm3; (13)Molar Volume: 158.5 cm3; (14)Polarizability: 19.88×10-24cm3; (15)Surface Tension: 49.2 dyne/cm; (16)Density: 1.244 g/cm3; (17)Flash Point: 152.9 °C; (18)Enthalpy of Vaporization: 60.34 kJ/mol; (19)Boiling Point: 329.1 °C at 760 mmHg; (20)Vapour Pressure: 7.28E-05 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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