ChemSpider 2D Image | Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate | C10H14N2O4

Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

  • Molecular FormulaC10H14N2O4
  • Average mass226.229 Da
  • Monoisotopic mass226.095352 Da
  • ChemSpider ID24721987

More details:

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

1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, diethyl ester [ACD/Index Name]
2,4-diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
3-Amino-1H-pyrrole-2,4-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
853058-40-9 [RN]
Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
Diethyl-3-amino-1H-pyrrol-2,4-dicarboxylat [German] [ACD/IUPAC Name]
3-Amino-1H-pyrrole-2,4-dicarboxylic acid diethyl e
diethyl3-amino-1h-pyrrole-2,4-dicarboxylate
DIETHYL-3-AMINO-1H-PYRROLE-2,4-DICARBOXYLATE
dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate [ACD/IUPAC Name]
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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: 410.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 201.7±27.3 °C
    Index of Refraction: 1.559
    Molar Refractivity: 57.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.90
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 75.43
    ACD/KOC (pH 5.5): 768.20
    ACD/LogD (pH 7.4): 2.77
    ACD/BCF (pH 7.4): 75.50
    ACD/KOC (pH 7.4): 768.85
    Polar Surface Area: 94 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 178.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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