ChemSpider 2D Image | 4-[(3-Amino-2,4,6-triiodophenyl)(methyl)amino]-2-ethyl-4-oxobutanoic acid | C13H15I3N2O3

4-[(3-Amino-2,4,6-triiodophenyl)(methyl)amino]-2-ethyl-4-oxobutanoic acid

  • Molecular FormulaC13H15I3N2O3
  • Average mass627.983 Da
  • Monoisotopic mass627.821655 Da
  • ChemSpider ID188004

More details:

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

4-[(3-Amino-2,4,6-triiodophenyl)(methyl)amino]-2-ethyl-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(3-Amino-2,4,6-triiodphenyl)(methyl)amino]-2-ethyl-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(3-amino-2,4,6-triiodophényl)(méthyl)amino]-2-éthyl-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(3-amino-2,4,6-triiodophenyl)methylamino]-2-ethyl-4-oxo- [ACD/Index Name]
37934-60-4 [RN]
4-((3-Amino-2,4,6-triiodophenyl)(methyl)amino)-2-ethyl-4-oxobutanoic acid
5'-Amino-2-ethyl-N-methyl-2',4',6'-triiodosuccinanilic acid
BUTANOIC ACID 4-((3-AMINO-2,4,6-TRIIODOPHENYL)METHYLAMINO)-2-ETHYL-4-OXO-
Butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)methylamino)-2-ethyl-4-oxo-
Succinanilic acid, 5'-amino-2-ethyl-N-methyl-2',4',6'-triiodo-

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

Density: 2.3±0.1 g/cm3
Boiling Point: 661.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.6±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 24.80
ACD/KOC (pH 5.5): 167.08
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.66
Polar Surface Area: 84 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 270.6±3.0 cm3

Click to predict properties on the Chemicalize site


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