ChemSpider 2D Image | 3-Acetamido-5-(butyrylamino)-2,4,6-triiodobenzoic acid | C13H13I3N2O4

3-Acetamido-5-(butyrylamino)-2,4,6-triiodobenzoic acid

  • Molecular FormulaC13H13I3N2O4
  • Average mass641.967 Da
  • Monoisotopic mass641.800903 Da
  • ChemSpider ID27652

More details:

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

3-Acetamido-5-(butyrylamino)-2,4,6-triiodbenzoesäure [German] [ACD/IUPAC Name]
3-Acetamido-5-(butyrylamino)-2,4,6-triiodobenzoic acid [ACD/IUPAC Name]
Acide 3-acétamido-5-(butyrylamino)-2,4,6-triiodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(1-oxobutyl)amino]- [ACD/Index Name]
19719-03-0 [RN]
3-Acetamido-5-butyramido-2,4,6-triiodobenzoic acid
4-14-00-01309 [Beilstein]
Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-

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

BRN 3007406 [DBID]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 623.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 330.8±31.5 °C
Index of Refraction: 1.757
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

Click to predict properties on the Chemicalize site


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