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

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

  • Molecular FormulaC18H21I3N2O5
  • Average mass726.083 Da
  • Monoisotopic mass725.858398 Da
  • ChemSpider ID117497

More details:

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

2-[(Cyclohexylcarbamoyl)oxy]ethyl 3-acetamido-2,4,6-triiodobenzoate [ACD/IUPAC Name]
2-[(Cyclohexylcarbamoyl)oxy]ethyl-3-acetamido-2,4,6-triiodbenzoat [German] [ACD/IUPAC Name]
3-Acétamido-2,4,6-triiodobenzoate de 2-[(cyclohexylcarbamoyl)oxy]éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-, 2-[[(cyclohexylamino)carbonyl]oxy]ethyl ester [ACD/Index Name]
2-(cyclohexylcarbamoyloxy)ethyl 3-acetamido-2,4,6-triiodobenzoate
2,4,6-triiodo-3-acetamidobenzoic acid (N-cyclohexylcarbamyloxy)ethyl ester
2-[(CYCLOHEXYLCARBAMOYL)OXY]ETHYL 3-(ACETYLAMINO)-2,4,6-TRIIODOBENZOATE
78969-69-4 [RN]
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-, 2-(((cyclohexylamino)carbonyl)oxy)ethyl ester
TABAC [Wiki]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.2±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1090.15
ACD/KOC (pH 5.5): 5197.97
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1090.12
ACD/KOC (pH 7.4): 5197.79
Polar Surface Area: 94 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 344.4±5.0 cm3

Click to predict properties on the Chemicalize site


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