ChemSpider 2D Image | 5-Butyl-4H-1,2,4-triazol-3,4-diamin | C6H13N5

5-Butyl-4H-1,2,4-triazol-3,4-diamin

  • Molecular FormulaC6H13N5
  • Average mass155.201 Da
  • Monoisotopic mass155.117096 Da
  • ChemSpider ID21403858

More details:

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

4H-1,2,4-Triazole-3,4-diamine, 5-butyl- [ACD/Index Name]
5-Butyl-4H-1,2,4-triazol-3,4-diamin
5-Butyl-4H-1,2,4-triazol-3,4-diamin [German] [ACD/IUPAC Name]
5-Butyl-4H-1,2,4-triazole-3,4-diamine [ACD/IUPAC Name]
5-Butyl-4H-1,2,4-triazole-3,4-diamine [French] [ACD/IUPAC Name]
5-butyl-[1,2,4]triazole-3,4-diamine
5-butyl-1,2,4-triazole-3,4-diamine
98275-29-7 [RN]
CS-14037

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 373.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.1±3.0 kJ/mol
    Flash Point: 179.6±23.2 °C
    Index of Refraction: 1.650
    Molar Refractivity: 41.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.21
    ACD/LogD (pH 5.5): -0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.34
    ACD/LogD (pH 7.4): -0.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.31
    Polar Surface Area: 83 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 57.0±7.0 dyne/cm
    Molar Volume: 113.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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