ChemSpider 2D Image | Methyl 3,5-diamino-2-pyrazinecarboxylate | C6H8N4O2

Methyl 3,5-diamino-2-pyrazinecarboxylate

  • Molecular FormulaC6H8N4O2
  • Average mass168.153 Da
  • Monoisotopic mass168.064728 Da
  • ChemSpider ID15404604

More details:

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

1458-19-1 [RN]
2-Pyrazinecarboxylic acid, 3,5-diamino-, methyl ester [ACD/Index Name]
3,5-Diamino-2-pyrazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3,5-diamino-2-pyrazinecarboxylate [ACD/IUPAC Name]
Methyl 3,5-diaminopyrazine-2-carboxylate
Methyl-3,5-diamino-2-pyrazincarboxylat [German] [ACD/IUPAC Name]
[1458-19-1] [RN]
3,5-Diamino-pyrazine-2-carboxylic acid methyl ester
METHYL-3,5-DIAMINOPYRAZINE-2-CARBOXYLATE
MFCD11616136

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 449.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.8±3.0 kJ/mol
    Flash Point: 225.7±27.3 °C
    Index of Refraction: 1.641
    Molar Refractivity: 42.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.20
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 3.12
    ACD/KOC (pH 5.5): 78.59
    ACD/LogD (pH 7.4): 0.95
    ACD/BCF (pH 7.4): 3.12
    ACD/KOC (pH 7.4): 78.59
    Polar Surface Area: 104 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 78.4±3.0 dyne/cm
    Molar Volume: 118.3±3.0 cm3

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