dl-4-fluorophenylalanine
structural formula
| physical competition number | 0153 |
|---|---|
| molecular formula | c9h10fno2 |
| molecular weight | 183.18 |
| label |
4-fluoro-dl-phenylalanine, 3-(4-fluorophenyl)-dl-alanine, dl-phe(p-f), h-dl-phe(p-f)-oh |
numbering system
cas number:51-65-0
mdl number:mfcd00002600
einecs number:200-113-7
rtecs number:ay6315000
brn number:29338793
pubchem number:24894885
physical property data
1. properties: white crystal.
2. density (g/ml, 25/4℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): 263~264℃ (253~255℃) decomposes.
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, 5.2kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc): undetermined
9. specific rotation (º): undetermined
10. autoignition point or ignition combustion temperature (ºc): undetermined
11. vapor pressure (kpa, 25ºc): undetermined
12. saturated vapor pressure (kpa, 60ºc): undetermined
13. heat of combustion (kj/mol): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. logarithmic value of oil-water (octanol/water) partition coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: soluble in acetic acid and alkali, about 10mg of product can be dissolved in 1ml of water.
toxicological data
1. acute toxicity: mouse abdominal cavity ld50: >1mg/kg
4. mutagenicity: mutation microorganismstest system: microorganisms – not otherwise specified: 50umol/l; mutation microorganismstest system: mold – neurospora crassa: 1mg /l; gene conversion and mitotic recombinationtest system: yeast-saccharomyces cerevisiae: 1200ppm; sex chromosome loss and nondisjunctiontest system: yeast-saccharomyces cerevisiae: 1200ppm; cytogenetic analysistest system: human lymphocytes: 50umol/l; cytogenetic analysistest system: rodent-hamster lung: 550umol/l; dna inhibitiontest system: rodent-rabbit kidney: 500umol/l
ecological data
none
molecular structure data
1. molar refractive index: 45.48
2. molar volume (cm3/mol): 141.6
3. isotonic specific volume (90.2k): 378.9
4. surface tension (dyne/cm): 51.2
5. polarizability (10-24cm3): 18.03
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compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 63.3
7. number of heavy atoms: 13
8. surface charge: 0
9. complexity: 179
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
should be kept sealed.
synthesis method
none
purpose
e. coli growth inhibitor. phenylalanine antagonist. protein synthesis inhibitor.
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