ChemSpider 2D Image | 3,5-Bis[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid | C13H13I3N2O4

3,5-Bis[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid

  • Molecular FormulaC13H13I3N2O4
  • Average mass641.967 Da
  • Monoisotopic mass641.800903 Da
  • ChemSpider ID7985348

More details:

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

3,5-Bis[acetyl(methyl)amino]-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3,5-Bis[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3,5-bis[acétyl(méthyl)amino]-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(acetylmethylamino)-2,4,6-triiodo- [ACD/Index Name]
1949-44-6 [RN]
2,4,6-TRIIODO-3,5-BIS(N-METHYLACETAMIDO)BENZOIC ACID
AGN-PC-0MTVPR

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

Density: 2.4±0.1 g/cm3
Boiling Point: 659.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.6±31.5 °C
Index of Refraction: 1.744
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 271.4±3.0 cm3

Click to predict properties on the Chemicalize site


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