ChemSpider 2D Image | 2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethanol | C6H11N3O

2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethanol

  • Molecular FormulaC6H11N3O
  • Average mass141.171 Da
  • Monoisotopic mass141.090210 Da
  • ChemSpider ID22108227

More details:

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

1H-1,2,4-Triazole-1-ethanol, 3,5-dimethyl- [ACD/Index Name]
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethanol [ACD/IUPAC Name]
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethanol [German] [ACD/IUPAC Name]
2-(3,5-Diméthyl-1H-1,2,4-triazol-1-yl)éthanol [French] [ACD/IUPAC Name]
52497-33-3 [RN]
MFCD10686576 [MDL number]
[52497-33-3] [RN]
2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanol
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-ol

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 333.6±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 155.5±28.4 °C
    Index of Refraction: 1.571
    Molar Refractivity: 38.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.98
    ACD/LogD (pH 5.5): -0.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.08
    ACD/LogD (pH 7.4): -0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.48
    Polar Surface Area: 51 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 41.8±7.0 dyne/cm
    Molar Volume: 116.2±7.0 cm3

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