ChemSpider 2D Image | Iocetamic acid | C12H13I3N2O3

Iocetamic acid

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID25724

More details:

Featured data source
The Merck Index Online

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

16034-77-8 [RN]
240-173-1 [EINECS]
3-[Acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methylpropanoic acid [ACD/IUPAC Name]
3-[Acetyl(3-amino-2,4,6-triiodphenyl)amino]-2-methylpropansäure [German] [ACD/IUPAC Name]
3-[N-(3-amino-2,4,6-triiodophenyl)acetamido]-2-methylpropanoic acid
Acide 3-[acétyl(3-amino-2,4,6-triiodophényl)amino]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Iocetamic acid
Propanoic acid, 3-[acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methyl- [ACD/Index Name]
3-(Acetyl-(3-amino-2,4,6-triiodophenyl)amino)-2-methylpropanoic acid
3-(N-(3-Amino-2,4,6-triiodophenyl)acetamido)-2-methylpropanoic acid
More...

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

2347 [DBID]
FA675Q0E3E [DBID]
UNII:FA675Q0E3E [DBID]
BRN 2171366 [DBID]
DRC 1201 [DBID]
HSDB 3344 [DBID]
MP 620 [DBID]
Prestwick0_000838 [DBID]
Prestwick1_000838 [DBID]
SPBio_002716 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Stability:

      Stable. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      ORL-RAT LD50 7100 mg kg-1, IVN-MUS LD50 410 mg kg-1, IVN-RAT LD50 700 mg kg-1 OU Chemical Safety Data (No longer updated) More details

    • Safety:

      Safety glasses. OU Chemical Safety Data (No longer updated) More details

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

Density: 2.4±0.1 g/cm3
Boiling Point: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.751
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 8.18
ACD/KOC (pH 5.5): 68.45
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 84 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

Click to predict properties on the Chemicalize site


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