ChemSpider 2D Image | 4-[(3-Amino-2,4,6-triiodophenyl)(ethyl)amino]-4-oxobutanoic acid | C12H13I3N2O3

4-[(3-Amino-2,4,6-triiodophenyl)(ethyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID108133

More details:

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

4-[(3-Amino-2,4,6-triiodophenyl)(ethyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(3-Amino-2,4,6-triiodphenyl)(ethyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(3-amino-2,4,6-triiodophényl)(éthyl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(3-amino-2,4,6-triiodophenyl)ethylamino]-4-oxo- [ACD/Index Name]
1634-73-7 [RN]
3'-Amino-N-ethyl-2',4',6'-triiodosuccinanilic acid
Butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)ethylamino)-4-oxo-
Butanoic acid,4-[(3-amino-2,4,6-triiodophenyl)ethylamino]-4-oxo-
N-Aethyl-N-(2,4,6-trijod-3-aminophenyl)-succinamidsaeure [German]
Succinanilic acid, 3'-amino-N-ethyl-2',4',6'-triiodo-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 3038213 [DBID]
RG 235 [DBID]
SH 771 [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: 665.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.1±31.5 °C
Index of Refraction: 1.753
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 14.13
ACD/KOC (pH 5.5): 107.78
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 84 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 75.6±3.0 dyne/cm
Molar Volume: 253.7±3.0 cm3

Click to predict properties on the Chemicalize site


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