ChemSpider 2D Image | 1-[(Cyclohexylcarbamoyl)oxy]ethyl 3-acetamido-2,4,6-triiodobenzoate | C18H21I3N2O5

1-[(Cyclohexylcarbamoyl)oxy]ethyl 3-acetamido-2,4,6-triiodobenzoate

  • Molecular FormulaC18H21I3N2O5
  • Average mass726.083 Da
  • Monoisotopic mass725.858398 Da
  • ChemSpider ID19983532

More details:

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

1-[(Cyclohexylcarbamoyl)oxy]ethyl 3-acetamido-2,4,6-triiodobenzoate [ACD/IUPAC Name]
1-[(Cyclohexylcarbamoyl)oxy]ethyl-3-acetamido-2,4,6-triiodbenzoat [German] [ACD/IUPAC Name]
3-Acétamido-2,4,6-triiodobenzoate de 1-[(cyclohexylcarbamoyl)oxy]éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-, 1-[[(cyclohexylamino)carbonyl]oxy]ethyl ester [ACD/Index Name]
2,4,6-triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester

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

Density: 2.1±0.1 g/cm3
Boiling Point: 700.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.7±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 863.91
ACD/KOC (pH 5.5): 4400.75
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 863.82
ACD/KOC (pH 7.4): 4400.28
Polar Surface Area: 94 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 345.0±5.0 cm3

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