AG00ILHE

33864-99-2 | Copper(4+),[[N,N',N'',N'''-[(29H,31H-phthalocyaninetetrayl-kN29,kN30,kN31,kN32)tetrakis[methylenethio[(dimethylamino)methylidyne]]]tetrakis[N-methylmethanaminiumato]](2-)]-, tetrachloride

AG00ILHE

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CAS Number	33864-99-2
Catalog Number	AG00ILHE(AGN-PC-0R9BJU)
Chemical Name	Copper(4+),[[N,N',N'',N'''-[(29H,31H-phthalocyaninetetrayl-kN29,kN30,kN31,kN32)tetrakis[methylenethio[(dimethylamino)methylidyne]]]tetrakis[N-methylmethanaminiumato]](2-)]-, tetrachloride
EC Number	251-705-7
IUPAC Name	copper;[dimethylamino-[[15,24,33-tris[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl]methylsulfanyl]methylidene]-dimethylazanium;tetrachloride
InChI	InChI=1S/C56H68N16S4.4ClH.Cu/c1-65(2)53(66(3)4)73-29-33-17-21-37-41(25-33)49-57-45(37)62-50-43-27-35(31-75-55(69(9)10)70(11)12)19-23-39(43)47(59-50)64-52-44-28-36(32-76-56(71(13)14)72(15)16)20-24-40(44)48(60-52)63-51-42-26-34(18-22-38(42)46(58-51)61-49)30-74-54(67(5)6)68(7)8;;;;;/h17-28H,29-32H2,1-16H3;4*1H;/q+2;;;;;+2/p-4
InChI Key	CKLBXIYTBHXJEH-UHFFFAOYSA-J
MDL Number	MFCD00010720
Molecular Formula	C56H68Cl4CuN16S4
Molecular Weight	1298.8643
SMILES	C12C=C(CS/C(=[N+](/C)C)/N(C)C)C=CC=1C1=NC3=C4C=C(CS/C(=[N+](/C)C)/N(C)C)C=CC4=C4N=C5C6C=C(CS/C(=[N+](C)/C)/N(C)C)C=CC=6C(N=C6C7C=C(CS/C(=[N+](C)/C)/N(C)C)C=CC=7C(=NC2=N1)N6[Cu]N43)=N5.[Cl-].[Cl-].[Cl-].[Cl-]
Synonyms	8GS, Alcian Blue, 8GX, Alcian Blue, Alcian Blue, Alcian Blue 8GS, Alcian Blue 8GX, Blue 8GS, Alcian, Blue 8GX, Alcian, Blue, Alcian, Alcian blue 8gx, ALCIAN BLUE, Ingrain Blue 1, 75881-23-1, C.I. Ingrain Blue 1, 33864-99-2, MFCD00010720, alcian-blue 8gx, Alcian Blue 8GX solution, Alcian Blue 8GX, powder, Ingrain Blue 1 / Alcian Blue, ALCIAN BLUE 8 GX, CERTIFIED, AKOS015902443, Alcian Blue 8GX, Dye content 25 %, ST24046272, I14-18826, I14-19666, Alcian Blue 8GX, for microscopy (Bact., Bot., Hist.), Alcian Blue 8GX, certified by the Biological Stain Commission, Alcian Blue 8GX, BioReagent, suitable for detection of glycoproteins, Alcianblue 8GX solution, for microscopy, 1% in solution (in 3% acetic acid), Copper(4+),[[N,N',N'',N'''-[(29H,31H-phthalocyaninetetrayl-kN29,kN30,kN31,kN32)tetrakis[methylenethio[(dimethylamino)methylidyne]]]tetrakis[N-methylmethanaminiumato]](2-)]-, tetrachloride, Alcian Blue 8GS, Alcian blue 8 GX, EINECS 278-333-8, Alcian Blue Solution for microscopy 100ml, Alcian Blue 8GX, dye content 50% - 10G 10g, 12040-44-7, Alcian Blue 8gx C. I. No. 74240 for microbiology 5gm, chloromethylated copper phthalocyanine-thiourea reaction products, [[N,N',N'',N'''-[29H,31H-Phthalocyaninetetrayltetrakis[methylenethio[(dimethylamino)methylidyne]]]tetrakis[dimethylammoniumato]](2-)-N29,N30,N31,N32]copper(4+) tetrachloride,

Complexity	2270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1297.272g/mol
Formal Charge	0
Heavy Atom Count	81
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	1298.858g/mol
Monoisotopic Mass	1295.275g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	202A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number