AC1L5BLY

copper;2-(dimethylamino)ethanol;2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene

Also Known As: Copper (chlorosulfonyl)sulfophthalocyanine (1:X:X:1), 2-(dimethylamino)ethanol salts|Copper, (29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, chlorosulfonyl sulfo derivs., compds. with 2-(dimethylamino)ethanol|Copper, (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, chlorosulfonyl sulfo derivs., compds. with 2-(dimethylamino)ethanol|Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, chlorosulfonyl sulfo derivs., compds. with 2-(dimethylamino)ethanol|Copper, (29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)-, chlorosulfonyl sulfo derivs, compds. with 2-(dimethylamino)ethanol|Copper, [29H,31H-phthalocyaninato( 2-)-N29,N30,N31,N32]-, chlorosulfonyl sulfo derivs., compds. with 2-(dimethylamino)ethanol|Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, sulfonated, compds. with 2-(dimethylamino)ethanol

Molecular Formula	C36H27CuN9O
Molecular Weight	664.16345 g/mol
LogP	5.6652
Topological Polar Surface Area	103.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	2
Exact Mass	664.16345
Monoisotopic Mass	664.16345
Heavy Atoms	47
Complexity	738.0

Chemical Identifiers

CAS Number	90247-36-2
SMILES	CN(C)CCO.C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Cu+2]
InChIKey	KUZMXDMKQSTJFR-UHFFFAOYSA-N