ChemSpider 2D Image | Ethyl 2-(3-amino-2,4,6-triiodobenzyl)butanoate | C13H16I3NO2

Ethyl 2-(3-amino-2,4,6-triiodobenzyl)butanoate

  • Molecular FormulaC13H16I3NO2
  • Average mass598.985 Da
  • Monoisotopic mass598.831482 Da
  • ChemSpider ID113258

More details:

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

2-(3-Amino-2,4,6-triiodobenzyl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-amino-α-ethyl-2,4,6-triiodo-, ethyl ester [ACD/Index Name]
Ethyl 2-(3-amino-2,4,6-triiodobenzyl)butanoate [ACD/IUPAC Name]
Ethyl-2-(3-amino-2,4,6-triiodbenzyl)butanoat [German] [ACD/IUPAC Name]
100850-30-4 [RN]
ethyl 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoate
Ethyl iopanoate

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

Density: 2.2±0.1 g/cm3
Boiling Point: 497.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 254.8±28.7 °C
Index of Refraction: 1.671
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3210.33
ACD/KOC (pH 5.5): 11261.15
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3210.33
ACD/KOC (pH 7.4): 11261.16
Polar Surface Area: 52 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

Click to predict properties on the Chemicalize site


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