ChemSpider 2D Image | C.I. Acid Blue 1 | C27H32N2O6S2

C.I. Acid Blue 1

  • 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

116-95-0 [RN]
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]
C.I. Acid Blue 1
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] [RN]
1188-22-3 [RN]
2-[[4-(Diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-sulfobenzenesulfonate
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    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: 135 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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