ChemSpider 2D Image | (4Z)-5-[(3-Amino-2,4,6-triiodophenyl)(methyl)amino]-1,4-pentadiene-1,1,5-triol | C12H13I3N2O3

(4Z)-5-[(3-Amino-2,4,6-triiodophenyl)(methyl)amino]-1,4-pentadiene-1,1,5-triol

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID95602918

More details:

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

(4Z)-5-[(3-Amino-2,4,6-triiodophenyl)(methyl)amino]-1,4-pentadiene-1,1,5-triol [ACD/IUPAC Name]
(4Z)-5-[(3-Amino-2,4,6-triiodophényl)(méthyl)amino]-1,4-pentadiène-1,1,5-triol [French] [ACD/IUPAC Name]
(4Z)-5-[(3-Amino-2,4,6-triiodphenyl)(methyl)amino]-1,4-pentadien-1,1,5-triol [German] [ACD/IUPAC Name]
1,4-Pentadiene-1,1,5-triol, 5-[(3-amino-2,4,6-triiodophenyl)methylamino]-, (4Z)- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 718.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 388.0±32.9 °C
Index of Refraction: 1.835
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.35
ACD/KOC (pH 5.5): 409.87
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.72
ACD/KOC (pH 7.4): 401.62
Polar Surface Area: 90 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 87.5±3.0 dyne/cm
Molar Volume: 241.3±3.0 cm3

Click to predict properties on the Chemicalize site


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