ChemSpider 2D Image | 3-Acetamido-2,4,6-triiodo-5-{[2-(methylamino)-2-oxoethyl]carbamoyl}benzoate | C13H11I3N3O5

3-Acetamido-2,4,6-triiodo-5-{[2-(methylamino)-2-oxoethyl]carbamoyl}benzoate

  • Molecular FormulaC13H11I3N3O5
  • Average mass669.958 Da
  • Monoisotopic mass669.783813 Da
  • ChemSpider ID21240085

  • Charge - Charge

More details:

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

3-Acetamido-2,4,6-triiod-5-{[2-(methylamino)-2-oxoethyl]carbamoyl}benzoat [German] [ACD/IUPAC Name]
3-Acetamido-2,4,6-triiodo-5-{[2-(methylamino)-2-oxoethyl]carbamoyl}benzoate [ACD/IUPAC Name]
3-Acétamido-2,4,6-triiodo-5-{[2-(méthylamino)-2-oxoéthyl]carbamoyl}benzoate [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[[[2-(methylamino)-2-oxoethyl]amino]carbonyl]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 749.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.3±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement