ChemSpider 2D Image | 2-(Methyl{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}amino)butanoic acid | C13H15I3N2O3

2-(Methyl{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}amino)butanoic acid

  • Molecular FormulaC13H15I3N2O3
  • Average mass627.983 Da
  • Monoisotopic mass627.821655 Da
  • ChemSpider ID43387678

More details:

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

2-(Methyl{2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl}amino)butanoic acid [ACD/IUPAC Name]
2-(Methyl{2-oxo-2-[(2,4,6-triiodphenyl)amino]ethyl}amino)butansäure [German] [ACD/IUPAC Name]
Acide 2-(méthyl{2-oxo-2-[(2,4,6-triiodophényl)amino]éthyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[methyl[2-oxo-2-[(2,4,6-triiodophenyl)amino]ethyl]amino]- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 619.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 328.2±31.5 °C
Index of Refraction: 1.717
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.25
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 273.5±3.0 cm3

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