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  • Cyanine dye 863,Cyanine 863 ,Cyanine dye no. 863,NSC43683,Quinolinium,
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Cyanine dye 863
    Cyanine 863
    Cyanine dye no. 863
    NSC43683
    Quinolinium, 2-[(3,6-dimethyl-2-phenyl-4(3H)-pyrimidinylidene)methyl]-1-ethyl-, chloride
    550-15-2

    [Structure]
    Cyanine dye 863,Cyanine 863 ,Cyanine dye no. 863,NSC43683,Quinolinium,

    [ Properties Computed from Structure]
    Molecular Weight389.92046 [g/mol]
    Molecular FormulaC24H24ClN3
    XLogP7.162
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count3
    Exact Mass389.165875
    MonoIsotopic Mass389.165875
    Topological Polar Surface Area20
    Heavy Atom Count28
    Formal Charge0
    Complexity548
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-[(3,
    6-dimethyl-2-phenylpyrimidin-3-ium-4-yl)methylidene]-1-ethylquinoline
    chloride
    Canonical SMILES: CCN1C(=CC2=CC(=NC(=[N+]2C)C3=CC=CC=C3)C)C=CC4=CC=CC=C41.[Cl-]
    InChI: InChI=1/C24H24N3.ClH/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18
    (2)25-24(26(22)3)20-11-6-5-7-12-20;/h5-17H,4H2,
    1-3H3;1H/q+1;/p-1/fC24H24N3.Cl/h;1h/qm;-1

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