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L-Phenylalanine,3,4-difluoro-

  • Name L-Phenylalanine,3,4-difluoro-
  • EINECS200-528-9
  • CAS No. 31105-90-5
  • Density1.379 g/cm3
  • PSA63.32000
  • LogP1.61950
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H9F2NO2
  • Boiling Point311.9 °C at 760 mmHg
  • Molecular Weight201.173
  • Flash Point142.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 31105-90-5 (L-3,4-DIFLUOROPHENYLALANINE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data3

L-Phenylalanine,3,4-difluoro- Specification

The L-Phenylalanine,3,4-difluoro-, with the CAS registry number 31105-90-5, is also known as L-3,4-Difluorophenylalanine. It belongs to the product categories of Amino Acids; Phenylalanine Analogs and Other Aromatic Alpha Amino Acids. This chemical's molecular formula is C9H9F2NO2 and molecular weight is 201.17. What's more, its IUPAC name is (2S)-2-Amino-3-(3,4-difluorophenyl)propanoic acid and systematic name is called 3,4-Difluoro-L-phenylalanine.

Physical properties about L-Phenylalanine,3,4-difluoro- are: (1) ACD/LogP: 1.13; (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: 1.536; (12) Molar Refractivity: 45.48 cm3; (13) Molar Volume: 145.8 cm3; (14) Surface Tension: 49.1 dyne/cm; (15) Density: 1.379 g/cm3; (16) Flash Point: 142.5 °C; (17) Enthalpy of Vaporization: 58.38 kJ/mol; (18) Boiling Point: 311.9 °C at 760 mmHg; (19) Vapour Pressure: 0.000234 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1F)C[C@@H](C(=O)O)N
(2) InChI: InChI=1/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
(3) InChIKey: PRAWYXDDKCVZTL-QMMMGPOBBZ

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