| Identification | |
| Name: | Benzenebutanoic acid, b-amino-2,4,5-trifluoro-, (bR)- |
| Synonyms: | (R)-3-Amino-4-(2,4,5-Trifluorophenyl)butyric Acid Hydrochloride;(R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid;Tert-butyl(R)-1-(methoxycarbonyl)-3-(2,4,5-trifluorophenyl)propan-2-ylcarbamatetert-butyl(R)-1-(methoxycarbonyl)-3-47(2,4,5-trifluorophenyl)propan-2-ylcarbamate |
| CAS: | 936630-57-8 |
| Molecular Formula: | C10H10F3NO2 |
| Molecular Weight: | 233.19 |
| InChI: | InChI=1/C10H10F3NO2/c11-7-4-9(13)8(12)2-5(7)1-6(14)3-10(15)16/h2,4,6H,1,3,14H2,(H,15,16)/t6-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.399 |
| Refractive index: | 1.513 |
| Specification: |
The cas register number of (R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid is 936630-57-8. It also can be called as benzenebutanoic acid, beta-amino-2,4,5-trifluoro-, (betaR)- and the Systematic name about this chemical is (3R)-3-ammonio-4-(2,4,5-trifluorophenyl)butanoate. Physical properties about (R)-3-Amino-4-(2,4,5-trifluorophenyl)butyric acid are: (1)ACD/LogP: 1.50 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.99 ; (4)ACD/LogD (pH 7.4): -1 ; (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: 5; (12)Polar Surface Area: 37.3Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 50.1 cm3; (15)Molar Volume: 166.5 cm3; (16)Surface Tension: 45.6 dyne/cm; (17)Density: 1.399 g/cm3; (18)Flash Point: 151.3 °C; (19)Enthalpy of Vaporization: 60.05 kJ/mol; (20)Boiling Point: 326.6 °C at 760 mmHg; (21)Vapour Pressure: 8.67E-05 mmHg at 25°C. People can use the following data to convert to the molecule structure. |
| Safety Data | |
 |
|
