ChemSpider 2D Image | (6E)-6-{[(1-Hydroxy-3,3-dimethyl-2-butanyl)amino]methylene}-2,4-diiodo-2,4-cyclohexadien-1-one | C13H17I2NO2

(6E)-6-{[(1-Hydroxy-3,3-dimethyl-2-butanyl)amino]methylene}-2,4-diiodo-2,4-cyclohexadien-1-one

  • Molecular FormulaC13H17I2NO2
  • Average mass473.089 Da
  • Monoisotopic mass472.934845 Da
  • ChemSpider ID34561016
  • Double-bond stereo - Double-bond stereo


More details:






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

(6E)-6-{[(1-Hydroxy-3,3-dimethyl-2-butanyl)amino]methylen}-2,4-diiod-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6E)-6-{[(1-Hydroxy-3,3-dimethyl-2-butanyl)amino]methylene}-2,4-diiodo-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6E)-6-{[(1-Hydroxy-3,3-diméthyl-2-butanyl)amino]méthylène}-2,4-diiodo-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 6-[[[1-(hydroxymethyl)-2,2-dimethylpropyl]amino]methylene]-2,4-diiodo-, (6E)- [ACD/Index Name]
(6Z)-6-[[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]methylidene]-2,4-diiodocyclohexa-2,4-dien-1-one
477339-39-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 397.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.9±6.0 kJ/mol
Flash Point: 194.2±27.9 °C
Index of Refraction: 1.652
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.71
ACD/KOC (pH 5.5): 1326.02
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.79
ACD/KOC (pH 7.4): 1326.72
Polar Surface Area: 49 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 247.2±5.0 cm3

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