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Name |
3-Fluoro-D-phenylalanine |
EINECS | 220-104-1 |
CAS No. | 110117-84-5 | Density | 1.293g/cm3 |
PSA | 63.32000 | LogP | 1.48040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10FNO2 | Boiling Point | 305 °C at 760 mmHg |
Molecular Weight | 183.182 | Flash Point | 138.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Fluoro-D-phenylalanine;D-3-Fluorophenylalanine;D-m-Fluorophenylalanine;m-Fluoro-D-phenylalanine; |
Article Data | 14 |
The D-Phenylalanine,3-fluoro-, with CAS registry number 110117-84-5, belongs to the following product categories: (1)Amino Acids; (2)A-amino. It has the systematic name of 3-fluoro-D-phenylalanine. This chemical should be stored at the temperature of 0-5°C. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.
Physical properties of D-Phenylalanine,3-fluoro-: (1)ACD/LogP: 1.17; (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: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.555; (12)Molar Refractivity: 45.48 cm3; (13)Molar Volume: 141.6 cm3; (14)Polarizability: 18.03×10-24cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Enthalpy of Vaporization: 57.6 kJ/mol; (17)Vapour Pressure: 0.000369 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1)C[C@H](C(=O)O)N
(2)InChI: InChI=1/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: VWHRYODZTDMVSS-MRVPVSSYBU
(4)Std. InChI: InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(5)Std. InChIKey: VWHRYODZTDMVSS-MRVPVSSYSA-N