ChemSpider 2D Image | 5-[(3-Amino-2,4,6-triiodophenyl)amino]-3-methyl-5-oxopentanoic acid | C12H13I3N2O3

5-[(3-Amino-2,4,6-triiodophenyl)amino]-3-methyl-5-oxopentanoic acid

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID184729

More details:

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

5-[(3-Amino-2,4,6-triiodophenyl)amino]-3-methyl-5-oxopentanoic acid [ACD/IUPAC Name]
5-[(3-Amino-2,4,6-triiodphenyl)amino]-3-methyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3-amino-2,4,6-triiodophényl)amino]-3-méthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[(3-amino-2,4,6-triiodophenyl)amino]-3-methyl-5-oxo- [ACD/Index Name]
25827-77-4 [RN]
3120-60-3 [RN]
3'-Amino-3-methyl-2',4',6'-triiodoglutaranilic acid
Glutaranilic acid, 3'-amino-3-methyl-2',4',6'-triiodo-
N-(2,4,6-Trijod-3-aminophenyl)-β-methylglutaramidsaeure [German]
Pentanoic acid, 5-((3-amino-2,4,6-triiodophenyl)amino)-3-methyl-5-oxo-
More...

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

BRN 2766140 [DBID]
RG 371 [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: 641.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 341.7±31.5 °C
Index of Refraction: 1.758
Molar Refractivity: 103.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 11.28
ACD/KOC (pH 5.5): 105.60
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.66
Polar Surface Area: 92 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement