ChemSpider 2D Image | Ethyl 3-amino-4-cyano-5-methyl-1H-pyrrole-2-carboxylate | C9H11N3O2

Ethyl 3-amino-4-cyano-5-methyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC9H11N3O2
  • Average mass193.202 Da
  • Monoisotopic mass193.085129 Da
  • ChemSpider ID23978973

More details:

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

1H-Pyrrole-2-carboxylic acid, 3-amino-4-cyano-5-methyl-, ethyl ester [ACD/Index Name]
3-Amino-4-cyano-5-méthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
74455-30-4 [RN]
Ethyl 3-amino-4-cyano-5-methyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-amino-4-cyan-5-methyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
[74455-30-4] [RN]
1H-Pyrrole-2-carboxylic acid, 3-amino-4-cyano-5-methyl-, ethyl ester (9CI)
1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-5-methyl-,ethylester(9CI)
3-amino-4-cyan-5-methyl-pyrrol-2-carbonsaeureethylester
3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde
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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: 397.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.8±3.0 kJ/mol
    Flash Point: 194.4±27.9 °C
    Index of Refraction: 1.563
    Molar Refractivity: 49.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.68
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 42.92
    ACD/KOC (pH 5.5): 513.21
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 42.92
    ACD/KOC (pH 7.4): 513.21
    Polar Surface Area: 92 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 61.6±5.0 dyne/cm
    Molar Volume: 151.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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