ChemSpider 2D Image | Methyl N-acetyl-3-(1H-1,2,4-triazol-1-yl)alaninate | C8H12N4O3

Methyl N-acetyl-3-(1H-1,2,4-triazol-1-yl)alaninate

  • Molecular FormulaC8H12N4O3
  • Average mass212.206 Da
  • Monoisotopic mass212.090942 Da
  • ChemSpider ID29785990

More details:

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

Alanine, N-acetyl-3-(1H-1,2,4-triazol-1-yl)-, methyl ester [ACD/Index Name]
Methyl N-acetyl-3-(1H-1,2,4-triazol-1-yl)alaninate [ACD/IUPAC Name]
Methyl-N-acetyl-3-(1H-1,2,4-triazol-1-yl)alaninat [German] [ACD/IUPAC Name]
N-Acétyl-3-(1H-1,2,4-triazol-1-yl)alaninate de méthyle [French] [ACD/IUPAC Name]
1487253-41-7 [RN]
Methyl 2-Acetamido-3-(1,2,4-triazol-1-yl)propanoate
methyl 2-acetamido-3-(1H-1,2,4-triazol-1-yl)propanoate
MFCD21236282 [MDL number]
MFCD26523286 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.585
    Molar Refractivity: 52.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -1.18
    ACD/LogD (pH 5.5): -0.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.80
    ACD/LogD (pH 7.4): -0.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.81
    Polar Surface Area: 86 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 49.7±7.0 dyne/cm
    Molar Volume: 157.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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