ChemSpider 2D Image | 1-[1-(3-Fluoro-4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methanamine | C11H13FN4O

1-[1-(3-Fluoro-4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methanamine

  • Molecular FormulaC11H13FN4O
  • Average mass236.245 Da
  • Monoisotopic mass236.107346 Da
  • ChemSpider ID37484355

More details:

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

1-[1-(3-Fluor-4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methanamin [German] [ACD/IUPAC Name]
1-[1-(3-Fluoro-4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methanamine [ACD/IUPAC Name]
1-[1-(3-Fluoro-4-méthoxybenzyl)-1H-1,2,3-triazol-4-yl]méthanamine [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-methanamine, 1-[(3-fluoro-4-methoxyphenyl)methyl]- [ACD/Index Name]
(1-(3-fluoro-4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)methanamine
1284914-30-2 [RN]
MFCD17927611

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 423.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 209.8±31.5 °C
    Index of Refraction: 1.603
    Molar Refractivity: 61.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.18
    ACD/LogD (pH 5.5): -1.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.15
    ACD/LogD (pH 7.4): 0.37
    ACD/BCF (pH 7.4): 1.01
    ACD/KOC (pH 7.4): 31.18
    Polar Surface Area: 66 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 178.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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