ChemSpider 2D Image | 4-Acetyl-N-(2,2-dimethoxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide | C13H20N2O4

4-Acetyl-N-(2,2-dimethoxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC13H20N2O4
  • Average mass268.309 Da
  • Monoisotopic mass268.142303 Da
  • ChemSpider ID24795125

More details:

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

1232794-99-8 [RN]
1H-Pyrrole-2-carboxamide, 4-acetyl-N-(2,2-dimethoxyethyl)-3,5-dimethyl- [ACD/Index Name]
4-Acetyl-N-(2,2-dimethoxyethyl)-3,5-dimethyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-Acetyl-N-(2,2-dimethoxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-Acétyl-N-(2,2-diméthoxyéthyl)-3,5-diméthyl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
[1232794-99-8] [RN]
4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2,2-dimethoxy-ethyl)-amide
BS-3349
MFCD14703586 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 394.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.4±3.0 kJ/mol
    Flash Point: 192.3±27.9 °C
    Index of Refraction: 1.520
    Molar Refractivity: 71.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.43
    ACD/LogD (pH 5.5): 1.37
    ACD/BCF (pH 5.5): 6.47
    ACD/KOC (pH 5.5): 132.46
    ACD/LogD (pH 7.4): 1.37
    ACD/BCF (pH 7.4): 6.47
    ACD/KOC (pH 7.4): 132.46
    Polar Surface Area: 80 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 234.8±3.0 cm3

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