ChemSpider 2D Image | Ethyl 3-({[2-(2-methoxyethoxy)ethyl]sulfonyl}amino)-1-methyl-1H-pyrrole-2-carboxylate | C13H22N2O6S

Ethyl 3-({[2-(2-methoxyethoxy)ethyl]sulfonyl}amino)-1-methyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC13H22N2O6S
  • Average mass334.389 Da
  • Monoisotopic mass334.119843 Da
  • ChemSpider ID64928280

More details:

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

1H-Pyrrole-2-carboxylic acid, 3-[[[2-(2-methoxyethoxy)ethyl]sulfonyl]amino]-1-methyl-, ethyl ester [ACD/Index Name]
3-({[2-(2-Méthoxyéthoxy)éthyl]sulfonyl}amino)-1-méthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-({[2-(2-methoxyethoxy)ethyl]sulfonyl}amino)-1-methyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-({[2-(2-methoxyethoxy)ethyl]sulfonyl}amino)-1-methyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 472.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.8±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 81.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.96
ACD/KOC (pH 5.5): 229.66
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.27
ACD/KOC (pH 7.4): 218.23
Polar Surface Area: 104 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 263.4±7.0 cm3

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