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

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

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID188276

More details:

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

4-[(3-Amino-2,4,6-triiodophenyl)(methyl)amino]-3-methyl-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(3-Amino-2,4,6-triiodphenyl)(methyl)amino]-3-methyl-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(3-amino-2,4,6-triiodophényl)(méthyl)amino]-3-méthyl-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(3-amino-2,4,6-triiodophenyl)methylamino]-3-methyl-4-oxo- [ACD/Index Name]
38358-07-5 [RN]
4-((3-Amino-2,4,6-triiodophenyl)(methyl)amino)-3-methyl-4-oxobutanoic acid
484-29-7 [RN]
Butanoic acid, 4-((3-amino-2,4,6-triiodophenyl)methylamino)-3-methyl-4-oxo-
N-Methyl-N-(2,4,6-trijod-3-aminophenyl)-methylsuccinamidsaeure [German]
Succinanilic acid, 3'-amino-N,2(or 3)-dimethyl-2',4',6'-triiodo-

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

RG 376 [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: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.751
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 13.45
ACD/KOC (pH 5.5): 106.18
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
Polar Surface Area: 84 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

Click to predict properties on the Chemicalize site


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