ChemSpider 2D Image | methyl (Z)-3-(5-amino-1H-1,2,4-triazol-3-yl)prop-2-enoate | C6H8N4O2

methyl (Z)-3-(5-amino-1H-1,2,4-triazol-3-yl)prop-2-enoate

  • Molecular FormulaC6H8N4O2
  • Average mass168.153 Da
  • Monoisotopic mass168.064728 Da
  • ChemSpider ID28943049

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(3-Amino-1H-1,2,4-triazol-5-yl)acrylate de méthyle [French] [ACD/IUPAC Name]
Methyl-(2Z)-3-(3-amino-1H-1,2,4-triazol-5-yl)acrylat [German] [ACD/IUPAC Name]
(Z)-Methyl 3-(5-amino-1H-1,2,4-triazol-3-yl)acrylate
1379821-54-1 [RN]
2-propenoic acid, 3-(5-amino-1H-1,2,4-triazol-3-yl), methyl ester, (2Z)
2-Propenoic acid, 3-(5-amino-1H-1,2,4-triazol-3-yl)-, methyl ester, (2Z)- [ACD/Index Name]
methyl (2Z)-3-(3-amino-1H-1,2,4-triazol-5-yl)-2-propenoate
methyl (2Z)-3-(3-amino-1H-1,2,4-triazol-5-yl)prop-2-enoate
Methyl (2Z)-3-(5-amino-1H-1,2,4-triazol-3-yl)acrylate [ACD/IUPAC Name]
methyl (Z)-3-(3-amino-1H-1,2,4-triazol-5-yl)prop-2-enoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 401.6±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.3±3.0 kJ/mol
    Flash Point: 196.7±29.3 °C
    Index of Refraction: 1.661
    Molar Refractivity: 43.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.92
    ACD/LogD (pH 5.5): -0.66
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.39
    ACD/LogD (pH 7.4): -0.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.47
    Polar Surface Area: 94 Å2
    Polarizability: 17.2±0.5 10-24cm3
    Surface Tension: 77.5±3.0 dyne/cm
    Molar Volume: 117.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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