ChemSpider 2D Image | Methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate | C5H7N3O2

Methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC5H7N3O2
  • Average mass141.128 Da
  • Monoisotopic mass141.053833 Da
  • ChemSpider ID14422479

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

1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-, methyl ester [ACD/Index Name]
1-Méthyl-1H-1,2,4-triazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
57031-66-0 [RN]
Methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-methyl-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]
[57031-66-0] [RN]
1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-, methyl ester (9CI)
1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-,methylester(9CI)
1-Methyl-1H-[1,2,4]triazole-3-carboxylic acid methyl ester
1-Methyl-1H-[1,2,4]triazole-3-carboxylicacidmethylester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 263.1±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.1±3.0 kJ/mol
    Flash Point: 112.9±22.6 °C
    Index of Refraction: 1.570
    Molar Refractivity: 35.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.54
    ACD/LogD (pH 5.5): -0.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.39
    ACD/LogD (pH 7.4): -0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.39
    Polar Surface Area: 57 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 45.0±7.0 dyne/cm
    Molar Volume: 106.6±7.0 cm3

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