ChemSpider 2D Image | 3-Amino-2,4,6-triiodo-5-(pentanoylamino)benzoic acid | C12H13I3N2O3

3-Amino-2,4,6-triiodo-5-(pentanoylamino)benzoic acid

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID2292933

More details:

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

3-Amino-2,4,6-triiod-5-(pentanoylamino)benzoesäure [German] [ACD/IUPAC Name]
3-Amino-2,4,6-triiodo-5-(pentanoylamino)benzoic acid [ACD/IUPAC Name]
Acide 3-amino-2,4,6-triiodo-5-(pentanoylamino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-2,4,6-triiodo-5-[(1-oxopentyl)amino]- [ACD/Index Name]
3-Amino-2,4,6-triiodo-5-valeramidobenzoic acid
3-Valerylamino-5-amino-2,4,6-trijodbenzoesaeure [German]
Benzoic acid, 3-amino-2,4,6-triiodo-5-valeramido-
DG3360000

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

Density: 2.4±0.1 g/cm3
Boiling Point: 579.2±50.0 °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: 304.1±30.1 °C
Index of Refraction: 1.762
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 92 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 253.1±3.0 cm3

Click to predict properties on the Chemicalize site


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