ChemSpider 2D Image | N-(3-Amino-2,4,6-triiodophenyl)-N-ethyl-4,4-dihydroxy-3-butenamide | C12H13I3N2O3

N-(3-Amino-2,4,6-triiodophenyl)-N-ethyl-4,4-dihydroxy-3-butenamide

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID95546291

More details:

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

3-Butenamide, N-(3-amino-2,4,6-triiodophenyl)-N-ethyl-4,4-dihydroxy- [ACD/Index Name]
N-(3-Amino-2,4,6-triiodophenyl)-N-ethyl-4,4-dihydroxy-3-butenamide [ACD/IUPAC Name]
N-(3-Amino-2,4,6-triiodophényl)-N-éthyl-4,4-dihydroxy-3-buténamide [French] [ACD/IUPAC Name]
N-(3-Amino-2,4,6-triiodphenyl)-N-ethyl-4,4-dihydroxy-3-butenamid [German] [ACD/IUPAC Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.792
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.62
ACD/KOC (pH 5.5): 1125.70
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.58
ACD/KOC (pH 7.4): 1107.90
Polar Surface Area: 87 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 247.5±3.0 cm3

Click to predict properties on the Chemicalize site


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