| Identification | |
| Name: | Benzenepropanoic acid, b-amino-4-(trifluoromethyl)- |
| Synonyms: | DL-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID;DL-BETA-(P-TRIFLUOROMETHYLPHENYL)ALANINE;3-AMINO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID;3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID;RARECHEM AK HW 0019;3-(P-TRIFLUOROMETHYLPHENYL)-DL-BETA-ALANINE ;DL-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PHENYLPROPIONIC ACID |
| CAS: | 180263-44-9 |
| Molecular Formula: | C10H10 F3 N O2 |
| Molecular Weight: | 233.19 |
| InChI: | InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16) |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 145.5°C |
| Boiling Point: | 317°Cat760mmHg |
| Density: | 1.361g/cm3 |
| Refractive index: | 1.501 |
| Specification: |
The 3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid, with the CAS registry number 180263-44-9, is also called Benzenepropanoic acid, β-amino-4-(trifluoromethyl)-. It belongs to the product category of B-Amino. And the molecular formula of the chemical is C10H10F3NO2. The characteristics of 3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid are as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -1.03; (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: 1.501; (14)Molar Refractivity: 50.51 cm3; (15)Molar Volume: 171.3 cm3; (16)Polarizability: 20.02×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.361 g/cm3; (19)Flash Point: 145.5 °C; (20)Enthalpy of Vaporization: 58.95 kJ/mol; (21)Boiling Point: 317 °C at 760 mmHg; (22)Vapour Pressure: 0.000166 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Flash Point: | 145.5°C |
| Safety Data | |
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