ChemSpider 2D Image | 3-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)aniline | C11H12N4

3-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)aniline

  • Molecular FormulaC11H12N4
  • Average mass200.240 Da
  • Monoisotopic mass200.106201 Da
  • ChemSpider ID25966949

More details:

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

1240527-58-5 [RN]
3-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)anilin [German] [ACD/IUPAC Name]
3-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)aniline [ACD/IUPAC Name]
3-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)aniline [French] [ACD/IUPAC Name]
3-(3-Cyclopropyl-1H-1,2,4-triazol-5-yl)benzenamine
Benzenamine, 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)- [ACD/Index Name]
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
MFCD14628518
MFCD16622094 [MDL number]
VS-11454

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 488.5±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.5±3.0 kJ/mol
    Flash Point: 281.1±16.5 °C
    Index of Refraction: 1.698
    Molar Refractivity: 57.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.71
    ACD/LogD (pH 5.5): 1.16
    ACD/BCF (pH 5.5): 4.47
    ACD/KOC (pH 5.5): 100.99
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 4.56
    ACD/KOC (pH 7.4): 103.12
    Polar Surface Area: 68 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 74.9±3.0 dyne/cm
    Molar Volume: 149.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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