ChemSpider 2D Image | 1-(4-Fluorophenyl)-1-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]methanamine | C11H13FN4O

1-(4-Fluorophenyl)-1-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]methanamine

  • Molecular FormulaC11H13FN4O
  • Average mass236.245 Da
  • Monoisotopic mass236.107346 Da
  • ChemSpider ID29359259

More details:

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

1-(4-Fluorophenyl)-1-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]methanamine [ACD/IUPAC Name]
1-(4-Fluorophényl)-1-[3-(méthoxyméthyl)-1H-1,2,4-triazol-5-yl]méthanamine [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-1-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]methanamin [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-methanamine, α-(4-fluorophenyl)-5-(methoxymethyl)- [ACD/Index Name]
(4-fluorophenyl)-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]methanamine
1708274-77-4 [RN]
AKOS016052564
MFCD26526047

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 425.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±3.0 kJ/mol
    Flash Point: 211.1±31.5 °C
    Index of Refraction: 1.587
    Molar Refractivity: 61.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.63
    ACD/LogD (pH 5.5): 0.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.89
    ACD/LogD (pH 7.4): 0.52
    ACD/BCF (pH 7.4): 1.46
    ACD/KOC (pH 7.4): 45.18
    Polar Surface Area: 77 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 56.5±3.0 dyne/cm
    Molar Volume: 181.4±3.0 cm3

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