RefChem:128807
copper;bis(2-[bis(2-hydroxyethyl)amino]ethanol);2,11,20,29,37,40-hexaza-38,39-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(40),11,13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene-5,25-disulfonate;hydron
Also Known As: Cuprate(2-), (29H,31H-phthalocyaninedisulfonato(4-)-N29,N30,N31,N32)-, bis(triethanolamine) salt|Cuprate(2-), (29H,31H-phthalocyaninedisulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-, hydrogen, compd. with 2,2',2''-nitrilotris(ethanol) (1:2:2)|Cuprate(2-), (29H,31H-phthalocyaninedisulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-, dihydrogen, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)|Cuprate(2-), [29H,31H-phthalocyaninedisulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-, dihydrogen, compd. with 2,2',2''-nitrilotris[ethanol] (1:2)|Copper(2+) hydrogen phthalocyanine-29,30-diide-3,15-disulfonate--2,2',2''-nitrilotri(ethan-1-ol) (1/2/1/2)|Cuprate(2-), [29H,31H-phthalocyaninedisulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-, hydrogen, compd. with 2,2',2''-nitrilotris[ethanol] (1:2:2)|Cuprate(2-), [29H,31H-phthalocyaninedisulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32]-, (SP-4-1)-, hydrogen, compd. with 2,2',2''-nitrilotris[ethanol] (1:2:2)|Cuprate(2-), [29H,31H-phthalocyaninedisulfonato(4-)-N29,N30,N31,N32]-, (SP-4-1)-, dihydrogen, compd. with 2,2',2''-nitrilotris[ethanol] (1:2)|Dihydrogen (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-), compound with 2,2',2''-nitrilotriethanol (1:2)|Dihydrogen [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cuprate(2-), compound with 2,2',2''-nitrilotriethanol (1:2)
| Molecular Formula | C44H46CuN10O12S2 |
|---|---|
| Molecular Weight | 1033.2034 g/mol |
| LogP | 0.6887 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1033.2034 |
| Monoisotopic Mass | 1033.2034 |
| Heavy Atoms | 69 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 68035-71-2 |
|---|---|
| SMILES | [H+].[H+].C1=CC=C2C(=C1)C3=NC4=C5C=CC(=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=C(C=CC=C9S(=O)(=O)[O-])C(=N8)N=C2[N-]3)S(=O)(=O)[O-].C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.[Cu+2] |
| InChIKey | LWDHIHZVQRVDHM-UHFFFAOYSA-N |
Product Overview
RefChem:128807 (CAS 68035-71-2), with molecular formula C44H46CuN10O12S2 and molecular weight 1033.2034 g/mol. IUPAC: copper;bis(2-[bis(2-hydroxyethyl)amino]ethanol);2,11,20,29,37,40-hexaza-38,39-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(40),11,13,15,17,19,21,23,25,27,29,31,33,35-nonadecaene-5,25-disulfonate;hydron.