ChemSpider 2D Image | 4-{[4-(Diethylamino)phenyl][4-(diethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-1,3-benzenedisulfonate | C27H31N2O6S2

4-{[4-(Diethylamino)phenyl][4-(diethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-1,3-benzenedisulfonate

  • Molecular FormulaC27H31N2O6S2
  • Average mass543.675 Da
  • Monoisotopic mass543.162903 Da
  • ChemSpider ID3192009

  • Charge - Charge

More details:

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

4-{[4-(Diethylamino)phenyl][4-(diethyliminio)-2,5-cyclohexadien-1-yliden]methyl}-1,3-benzoldisulfonat [German] [ACD/IUPAC Name]
4-{[4-(Diethylamino)phenyl][4-(diethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-1,3-benzenedisulfonate [ACD/IUPAC Name]
4-{[4-(Diéthylamino)phényl][4-(diéthyliminio)-2,5-cyclohexadién-1-ylidène]méthyl}-1,3-benzènedisulfonate [French] [ACD/IUPAC Name]
Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, ion(1-) [ACD/Index Name]

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

ZINC03874033 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

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