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Name |
L-Phenylalanine,3,4,5-trifluoro- |
EINECS | N/A |
CAS No. | 646066-73-1 | Density | 1.46 g/cm3 |
PSA | 63.32000 | LogP | 1.75860 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8F3NO2 | Boiling Point | 303.8 °C at 760 mmHg |
Molecular Weight | 219.163 | Flash Point | 137.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-3-(3,4,5-trifluorophenyl)propionic acid; |
Article Data | 1 |
The L-Phenylalanine,3,4,5-trifluoro-, with the CAS registry number of 646066-73-1, is also known as 2-Amino-3-(3,4,5-trifluorophenyl)propionic acid. Its molecular formula is C9H8F3NO2 and molecular weight is 219.1605. What's more, its systematic name is 3,4,5-Trifluorophenylalanine.
Physical properties about the L-Phenylalanine,3,4,5-trifluoro- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.37; (4)ACD/LogD (pH 7.4): -1.39; (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: 1.518; (14)Molar Refractivity: 45.47 cm3; (15)Molar Volume: 150 cm3; (16)Surface Tension: 47.1 dyne/cm; (17)Density: 1.46 g/cm3; (18)Flash Point: 137.5 °C; (19)Enthalpy of Vaporization: 57.45 kJ/mol; (20)Boiling Point: 303.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0004 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(cc(F)c1F)CC(C(=O)O)N
(2) InChI: InChI=1/C9H8F3NO2/c10-5-1-4(2-6(11)8(5)12)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15)
(3) InChIKey: SFKCVRLOYOHGFK-UHFFFAOYAL