ChemSpider 2D Image | 1-(4-Chlorophenyl)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine | C11H13ClN4

1-(4-Chlorophenyl)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine

  • Molecular FormulaC11H13ClN4
  • Average mass236.701 Da
  • Monoisotopic mass236.082870 Da
  • ChemSpider ID29359620

More details:

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

1-(4-Chlorophenyl)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)methanamine [ACD/IUPAC Name]
1-(4-Chlorophényl)-1-(3-éthyl-1H-1,2,4-triazol-5-yl)méthanamine [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-1-(3-ethyl-1H-1,2,4-triazol-5-yl)methanamin [German] [ACD/IUPAC Name]
1707569-06-9 [RN]
1H-1,2,4-Triazole-3-methanamine, α-(4-chlorophenyl)-5-ethyl- [ACD/Index Name]
(4-chlorophenyl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine
(4-Chlorophenyl)(5-ethyl-1H-1,2,4-triazol-3-yl)methanamine
AKOS016052552
MFCD26526397

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 449.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.8±3.0 kJ/mol
    Flash Point: 225.4±31.5 °C
    Index of Refraction: 1.619
    Molar Refractivity: 64.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 1.13
    ACD/BCF (pH 5.5): 3.18
    ACD/KOC (pH 5.5): 56.23
    ACD/LogD (pH 7.4): 1.65
    ACD/BCF (pH 7.4): 10.51
    ACD/KOC (pH 7.4): 185.86
    Polar Surface Area: 68 Å2
    Polarizability: 25.4±0.5 10-24cm3
    Surface Tension: 58.9±3.0 dyne/cm
    Molar Volume: 182.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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