12561-67-0

Basic information

• Product Name: copper bis(histidinate)
• Synonyms: copper bis(histidinate);Copper, bis(L-histidinato-N,N3,o)-;Cu(His)2
• CAS NO: 12561-67-0
• Molecular Formula: C12H16 Cu N6 O4
• Molecular Weight: 369.83
• Mol File: 12561-67-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 458.9°C at 760 mmHg
• Flash Point: 231.3°C
• Appearance: /
• Vapor Pressure: 3.25E-09mmHg at 25°C
• CAS DataBase Reference: copper bis(histidinate)(CAS DataBase Reference)
• NIST Chemistry Reference: copper bis(histidinate)(12561-67-0)
• EPA Substance Registry System: copper bis(histidinate)(12561-67-0)

Safety Data

• Hazardous Substances Data: 12561-67-0(Hazardous Substances Data)

Usage

InChI:InChI=1/2C6H9N3O2.Cu/c2*7-5(6(10)11)1-4-2-8-3-9-4;/h2*2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;;+2/p-2/t2*5-;/m00./s1

Upstream product

• 71-00-1 D,L-histidine 
• 5934-29-2 U-[13C,15N]-histidine hydrochloride hydrate 

Relevant articles and documents

Nature of metal binding sites in Cu(II) complexes with histidine and related N-coordinating ligands, as studied by EXAFS

Knowledge of the complexes formed by N-coordinating ligands and Cu(II) ions is of relevance in understanding the interactions of this ion with biomolecules. Within this framework, we investigated Cu(II) complexation with mono-and polydentate ligands, such as ammonia, ethylenediamine (en), and phthalocyanine (Pc). The obtained Cu-N coordination distances were 2.02 A for [Cu(NH3)4]2+, 2.01 A for [Cu(en) 2]2+, and 1.95 A for CuPc. The shorter bond distance found for CuPc is attributed to the macrocyclic effect. In addition to the structure of the first shell, information on higher coordination shells of the chelate ligands could be extracted by EXAFS, thus allowing discrimination among the different coordination modes. This was possible due to the geometry of the complexes, where the absorbing Cu atoms are coplanar with the four N atoms forming the first coordination shell of the complex. For this reason multiple scattering contributions become relevant, thus allowing determination of higher shells. This knowledge has been used to gain information about the structure of the 1:2 complexes formed by Cu(II) ions with the amino acids histidine and glycine, both showing a high affinity for Cu(II) ions. The in-solution structure of these complexes, particularly that with histidine, is not clear yet, probably due to the various possible coordination modes. In this case the square-planar arrangements glycine-histamine and histamine-histamine as well as tetrahedral coordination modes have been considered. The obtained first-shell Cu-N coordination distance for this complex is 1.99 A. The results of the higher shells EXAFS analysis point to the fact that the predominant coordination mode is the so-called histamine-histamine one in which both histidine molecules coordinate Cu(II) cations through N atoms from the amino group and from the imidazole ring.