ChemSpider 2D Image | 1-[1-Methyl(3-~2~H)-1H-pyrrol-2-yl]ethanone | C7H8DNO

1-[1-Methyl(3-2H)-1H-pyrrol-2-yl]ethanone

  • Molecular FormulaC7H8DNO
  • Average mass124.159 Da
  • Monoisotopic mass124.074692 Da
  • ChemSpider ID10540060

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[1-Methyl(3-2H)-1H-pyrrol-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[1-Methyl(3-2H)-1H-pyrrol-2-yl]ethanone [ACD/IUPAC Name]
1-[1-Méthyl(3-2H)-1H-pyrrol-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(1-methyl-1H-pyrrol-2-yl-3-d)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 202.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.9±3.0 kJ/mol
Flash Point: 68.3±0.0 °C
Index of Refraction: 1.510
Molar Refractivity: 36.7±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 75.29
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.94
ACD/KOC (pH 7.4): 75.29
Polar Surface Area: 22 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 33.1±7.0 dyne/cm
Molar Volume: 122.8±7.0 cm3

Click to predict properties on the Chemicalize site


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