ChemSpider 2D Image | 2,4,6-Triiodo-3-((dimethylaminomethylene)amino)hydrocinnamic acid | C12H13I3N2O2

2,4,6-Triiodo-3-((dimethylaminomethylene)amino)hydrocinnamic acid

  • Molecular FormulaC12H13I3N2O2
  • Average mass597.957 Da
  • Monoisotopic mass597.811096 Da
  • ChemSpider ID20473670

More details:

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

2,4,6-Triiodo-3-((dimethylaminomethylene)amino)hydrocinnamic acid
3-(3-{[(Dimethylamino)methylen]amino}-2,4,6-triiodphenyl)propansäure [German] [ACD/IUPAC Name]
3-(3-{[(Dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoic acid [ACD/IUPAC Name]
Acide 3-(3-{[(diméthylamino)méthylène]amino}-2,4,6-triiodophényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-
Benzenepropanoic acid, 3-[[(dimethylamino)methylene]amino]-2,4,6-triiodo- [ACD/Index Name]
226-992-7 [EINECS]
3-(3-(((Dimethylamino)methylene)amino)-2,4,6-triiodophenyl)propanoic acid
5587-89-3 [RN]
Ipodic acid
More...

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

Density: 2.3±0.1 g/cm3
Boiling Point: 579.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 304.4±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 23.80
ACD/KOC (pH 5.5): 150.49
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.00
Polar Surface Area: 53 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 258.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement