ChemSpider 2D Image | Iotalamic acid | C11H9I3N2O4

Iotalamic acid

  • Molecular FormulaC11H9I3N2O4
  • Average mass613.914 Da
  • Monoisotopic mass613.769592 Da
  • ChemSpider ID3606

More details:

Featured data source
The Merck Index Online

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

1VMR BI DI FI CVQ EVM1 [WLN]
218-897-4 [EINECS]
2276-90-6 [RN]
2819123 [Beilstein]
3-(Acetylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid [ACD/IUPAC Name]
3-Acetamido-2,4,6-triiod-5-(methylcarbamoyl)benzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid [ACD/IUPAC Name]
Acide 3-acétamido-2,4,6-triiodo-5-(méthylcarbamoyl)benzoïque [French] [ACD/IUPAC Name]
acide iotalamique [French] [INN]
Acido iotalamico [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1371 [DBID]
16CHD79MIX [DBID]
D01258 [DBID]
MI 216 [DBID]
NT1986000 [RTECS] [DBID]
Pharmakon1600-01503836 [DBID]
UNII:16CHD79MIX [DBID]
UNII-16CHD79MIX [DBID]

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

    Density: 2.5±0.1 g/cm3
    Boiling Point: 520.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.5±3.0 kJ/mol
    Flash Point: 268.4±30.1 °C
    Index of Refraction: 1.764
    Molar Refractivity: 99.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -0.37
    ACD/LogD (pH 5.5): -1.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 39.6±0.5 10-24cm3
    Surface Tension: 75.9±3.0 dyne/cm
    Molar Volume: 241.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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