ChemSpider 2D Image | 1-{3-[(4-Fluorophenoxy)methyl]-1H-1,2,4-triazol-5-yl}ethanamine | C11H13FN4O

1-{3-[(4-Fluorophenoxy)methyl]-1H-1,2,4-triazol-5-yl}ethanamine

  • Molecular FormulaC11H13FN4O
  • Average mass236.245 Da
  • Monoisotopic mass236.107346 Da
  • ChemSpider ID29359938

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{3-[(4-Fluorophenoxy)methyl]-1H-1,2,4-triazol-5-yl}ethanamine [ACD/IUPAC Name]
1-{3-[(4-Fluorophénoxy)méthyl]-1H-1,2,4-triazol-5-yl}éthanamine [French] [ACD/IUPAC Name]
1-{3-[(4-Fluorphenoxy)methyl]-1H-1,2,4-triazol-5-yl}ethanamin [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-5-methanamine, 3-[(4-fluorophenoxy)methyl]-α-methyl- [ACD/Index Name]
1-[5-(4-Fluoro-phenoxymethyl)-2H-[1,2,4]triazol-3-yl]-ethylamine
1-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
1708428-95-8 [RN]
AKOS016053601
MFCD26526719

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 455.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 229.5±31.5 °C
    Index of Refraction: 1.593
    Molar Refractivity: 61.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.87
    ACD/LogD (pH 5.5): -1.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.77
    Polar Surface Area: 77 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 56.9±3.0 dyne/cm
    Molar Volume: 180.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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