ChemSpider 2D Image | 2-{4-[(1E)-1,2-Diphenyl-1-buten-1-yl]-2-iodophenoxy}-N,N-dimethylethanamine | C26H28INO

2-{4-[(1E)-1,2-Diphenyl-1-buten-1-yl]-2-iodophenoxy}-N,N-dimethylethanamine

  • Molecular FormulaC26H28INO
  • Average mass497.411 Da
  • Monoisotopic mass497.121552 Da
  • ChemSpider ID25996517

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{4-[(1E)-1,2-Diphenyl-1-buten-1-yl]-2-iodophenoxy}-N,N-dimethylethanamine [ACD/IUPAC Name]
2-{4-[(1E)-1,2-Diphényl-1-butén-1-yl]-2-iodophénoxy}-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
2-{4-[(1E)-1,2-Diphenyl-1-buten-1-yl]-2-iodphenoxy}-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
Ethanamine, 2-[4-[(1E)-1,2-diphenyl-1-buten-1-yl]-2-iodophenoxy]-N,N-dimethyl- [ACD/Index Name]
2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]-2-iodophenoxy]-N,N-dimethylethanamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.03
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 671.57
ACD/KOC (pH 5.5): 592.17
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 25913.67
ACD/KOC (pH 7.4): 22849.83
Polar Surface Area: 12 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 378.3±3.0 cm3

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