ChemSpider 2D Image | Ethyl 4-[N-(3-ethoxypropyl)-N-(methoxyacetyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate | C22H36N2O6

Ethyl 4-[N-(3-ethoxypropyl)-N-(methoxyacetyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC22H36N2O6
  • Average mass424.531 Da
  • Monoisotopic mass424.257324 Da
  • ChemSpider ID22642133

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[2-[(3-ethoxypropyl)(2-methoxyacetyl)amino]-1-oxopropyl]-1-ethyl-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-[N-(3-Éthoxypropyl)-N-(2-méthoxyacétyl)alanyl]-1-éthyl-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[N-(3-ethoxypropyl)-N-(methoxyacetyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[N-(3-ethoxypropyl)-N-(methoxyacetyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.5±30.1 °C
Index of Refraction: 1.508
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.89
ACD/KOC (pH 5.5): 1679.39
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.89
ACD/KOC (pH 7.4): 1679.39
Polar Surface Area: 87 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 35.5±7.0 dyne/cm
Molar Volume: 384.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement