ChemSpider 2D Image | Diethyl 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis(2,4,6-triiodobenzoate) | C24H22I6N2O6

Diethyl 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis(2,4,6-triiodobenzoate)

  • Molecular FormulaC24H22I6N2O6
  • Average mass1195.868 Da
  • Monoisotopic mass1195.574585 Da
  • ChemSpider ID113148

More details:

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

3,3'-[(1,6-Dioxo-1,6-hexanediyl)diimino]bis(2,4,6-triiodobenzoate) de diéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-, diethyl ester [ACD/Index Name]
Diethyl 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis(2,4,6-triiodobenzoate) [ACD/IUPAC Name]
Diethyl-3,3'-[(1,6-dioxo-1,6-hexandiyl)diimino]bis(2,4,6-triiodbenzoat) [German] [ACD/IUPAC Name]
76994-60-0 [RN]
81381-93-3 [RN]
Benzoic acid, 3,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-, diethyl ester
DIETHYL 3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOATE)
ethyl 3-[[6-[(3-ethoxycarbonyl-2,4,6-triiodophenyl)amino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoate
Iodipamide ethyl ester

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

Density: 2.4±0.1 g/cm3
Boiling Point: 888.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 490.9±34.3 °C
Index of Refraction: 1.743
Molar Refractivity: 198.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29578.71
ACD/KOC (pH 5.5): 55196.48
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29577.83
ACD/KOC (pH 7.4): 55194.85
Polar Surface Area: 111 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 490.7±3.0 cm3

Click to predict properties on the Chemicalize site


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