ChemSpider 2D Image | Ipodate | C12H13I3N2O2

Ipodate

  • Molecular FormulaC12H13I3N2O2
  • Average mass597.957 Da
  • Monoisotopic mass597.811096 Da
  • ChemSpider ID5051

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
The Merck Index Online

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

2,4,6-Triiodo-3-[(dimethylaminomethylene)amino]hydrocinnamic Acid
3-(3-{(E)-[(Dimethylamino)methylen]amino}-2,4,6-triiodphenyl)propansäure [German] [ACD/IUPAC Name]
3-(3-{(E)-[(Dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoic acid [ACD/IUPAC Name]
3-(3-{[(1E)-(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoic acid
3-(3-{[(E)-(Dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoic acid
3-(3-{[(E)-(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoic acid
3-[(Dimethylaminomethylene)amino]-2,4,6-triiodohydrocinnamic Acid
3-[[(Dimethylamino)methylene]amino]-2,4,6-triiodobenzenepropanoic Acid
5587-89-3 [RN]
Acide 3-(3-{(E)-[(diméthylamino)méthylène]amino}-2,4,6-triiodophényl)propanoïque [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS156059 [DBID]
AIDS-156059 [DBID]
BRN 2220636 [DBID]
F604ZKI910 [DBID]
HSDB 3347 [DBID]
NSC106962 [DBID]
SH 514 [DBID]
SQ 15761 [DBID]
UNII:F604ZKI910 [DBID]
UNII-F604ZKI910 [DBID]
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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): 2.51
ACD/BCF (pH 5.5): 24.29
ACD/KOC (pH 5.5): 153.57
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.09
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


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