ChemSpider 2D Image | 2-{4-[(2-Butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}-N,N-diethylethanaminium | C25H30I2NO3

2-{4-[(2-Butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}-N,N-diethylethanaminium

  • Molecular FormulaC25H30I2NO3
  • Average mass646.319 Da
  • Monoisotopic mass646.030945 Da
  • ChemSpider ID2071

  • Charge - Charge

More details:

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

135048-43-0 [RN]
2-{4-[(2-Butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenoxy}-N,N-diethylethanaminium [ACD/IUPAC Name]
2-{4-[(2-Butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophénoxy}-N,N-diéthyléthanaminium [French] [ACD/IUPAC Name]
2-{4-[(2-Butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodphenoxy}-N,N-diethylethanaminium [German] [ACD/IUPAC Name]
Ethanaminium, 2-[4-[(2-butyl-3-benzofuranyl)carbonyl]-2,6-diiodophenoxy]-N,N-diethyl- [ACD/Index Name]
Methanone, (2-butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-, conjugate acid (1:1)

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

Density:
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 214.87
ACD/KOC (pH 5.5): 223.42
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 2617.19
ACD/KOC (pH 7.4): 2721.35
Polar Surface Area: 44 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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