ChemSpider 2D Image | 2-{2,4,6-Triiodo-3-[(1-oxidanidylbutylidene)amino]benzyl}butanoate | C15H16I3NO3

2-{2,4,6-Triiodo-3-[(1-oxidanidylbutylidene)amino]benzyl}butanoate

  • Molecular FormulaC15H16I3NO3
  • Average mass639.007 Da
  • Monoisotopic mass638.827515 Da
  • ChemSpider ID21234430

  • Charge - Charge

More details:

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

2-{2,4,6-Triiodo-3-[(1-oxidanidylbutylidene)amino]benzyl}butanoate [ACD/IUPAC Name]
2-{2,4,6-Triiodo-3-[(1-oxydanidylbutylidène)amino]benzyl}butanoate [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethyl-2,4,6-triiodo-3-[(1-oxobutyl)amino]-, ion(2-) [ACD/Index Name]

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

Density:
Boiling Point: 635.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 185.17
ACD/KOC (pH 5.5): 678.88
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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