ChemSpider 2D Image | 1-Methyl-1H-1,2,3-triazole-5-carbaldehyde | C4H5N3O

1-Methyl-1H-1,2,3-triazole-5-carbaldehyde

  • Molecular FormulaC4H5N3O
  • Average mass111.102 Da
  • Monoisotopic mass111.043259 Da
  • ChemSpider ID13583288

More details:

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

1H-1,2,3-Triazole-5-carboxaldehyde, 1-methyl- [ACD/Index Name]
1-Methyl-1H-1,2,3-triazol-5-carbaldehyd [German] [ACD/IUPAC Name]
1-Methyl-1H-1,2,3-triazole-5-carbaldehyde [ACD/IUPAC Name]
1-Méthyl-1H-1,2,3-triazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
202931-88-2 [RN]
(r)-2-phenethylpiperazine
3-Methyl-1,2,3-triazole-4-carbaldehyde
3-methyltriazole-4-carbaldehyde
MFCD10696346 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 253.5±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.1±3.0 kJ/mol
    Flash Point: 107.1±25.1 °C
    Index of Refraction: 1.605
    Molar Refractivity: 29.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.97
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.71
    ACD/LogD (pH 7.4): -0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.71
    Polar Surface Area: 48 Å2
    Polarizability: 11.6±0.5 10-24cm3
    Surface Tension: 50.5±7.0 dyne/cm
    Molar Volume: 84.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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