ChemSpider 2D Image | 2-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-5-sulfobenzenesulfonate | C27H32N2O6S2

2-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-5-sulfobenzenesulfonate

  • Molecular FormulaC27H32N2O6S2
  • Average mass544.683 Da
  • Monoisotopic mass544.170166 Da
  • ChemSpider ID91790

More details:






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

2-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-5-sulfobenzenesulfonate
4-{[4-(Diethylamino)phenyl][4-(diethyliminio)-2,5-cyclohexadien-1-yliden]methyl}-3-sulfobenzolsulfonat [German] [ACD/IUPAC Name]
4-{[4-(Diethylamino)phenyl][4-(diethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-sulfobenzenesulfonate [ACD/IUPAC Name]
4-{[4-(Diéthylamino)phényl][4-(diéthyliminio)-2,5-cyclohexadién-1-ylidène]méthyl}-3-sulfobenzènesulfonate [French] [ACD/IUPAC Name]
Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt [ACD/Index Name]
[116-95-0]
116-95-0 [RN]
1188-22-3 [RN]
204-165-1 [EINECS]
4-((4-(Diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-3-sulfobenzenesulfonate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

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