ChemSpider 2D Image | Methyl N-[3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoyl]-beta-alaninate | C10H14N4O5

Methyl N-[3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoyl]-β-alaninate

  • Molecular FormulaC10H14N4O5
  • Average mass270.242 Da
  • Monoisotopic mass270.096405 Da
  • ChemSpider ID29349388

More details:

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

Methyl N-[3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoyl]-β-alaninate [ACD/IUPAC Name]
Methyl-N-[3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[3-(3,5-Dioxo-2,3,4,5-tétrahydro-1,2,4-triazin-6-yl)propanoyl]-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[1-oxo-3-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)propyl]-, methyl ester [ACD/Index Name]
1441887-37-1 [RN]
methyl 3-[3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoylamino]propanoate

    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: 1.568
    Molar Refractivity: 62.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: -2.80
    ACD/LogD (pH 5.5): -4.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.95
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 135 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 70.7±3.0 dyne/cm
    Molar Volume: 190.7±3.0 cm3

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