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Name |
L-Phenylalanine,2,4-difluoro- |
EINECS | N/A |
CAS No. | 31105-93-8 | Density | 1.379 g/cm3 |
PSA | 63.32000 | LogP | 1.61950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9F2NO2 | Boiling Point | 306.1 °C at 760 mmHg |
Molecular Weight | 201.173 | Flash Point | 138.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Alanine,3-(2,4-difluorophenyl)-, L- (8CI);2,4-Difluoro-L-phenylalanine; |
Article Data | 1 |
The L-Phenylalanine,2,4-difluoro-, with CAS registry number 31105-93-8, has the systematic name of (2S)-2-ammonio-3-(2,4-difluorophenyl)propanoate. Besides this, it is also called 2,4-Difluoro-L-Phenylalanine. And the chemical formula of this chemical is C9H9F2NO2.
Physical properties of L-Phenylalanine,2,4-difluoro-: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): -1.27; (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: 37.3 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 45.48 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 18.03×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.379 g/cm3; (19)Flash Point: 138.9 °C; (20)Enthalpy of Vaporization: 57.71 kJ/mol; (21)Boiling Point: 306.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000344 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)ccc1C[C@@H](C([O-])=O)[NH3+]
(2)InChI: InChI=1/C9H9F2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
(3)InChIKey: UEFLPVKMPDEMFW-QMMMGPOBBH
(4)Std. InChI: InChI=1S/C9H9F2NO2/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
(5)Std. InChIKey: UEFLPVKMPDEMFW-QMMMGPOBSA-N