ChemSpider 2D Image | Ethyl N-{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}-beta-alaninate | C13H15I3N2O3

Ethyl N-{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}-β-alaninate

  • Molecular FormulaC13H15I3N2O3
  • Average mass627.983 Da
  • Monoisotopic mass627.821655 Da
  • ChemSpider ID43387682

More details:

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

Ethyl N-{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{2-oxo-2-[(2,4,6-triiodphenyl)amino]ethyl}-β-alaninat [German] [ACD/IUPAC Name]
N-{2-Oxo-2-[(2,4,6-triiodophényl)amino]éthyl}-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl]-, ethyl ester [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 599.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.3±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 107.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 23.82
ACD/KOC (pH 5.5): 200.65
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 138.02
ACD/KOC (pH 7.4): 1162.85
Polar Surface Area: 67 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 283.6±3.0 cm3

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