Cas no 12561-67-0 (Copper,bis(L-histidinato-kN,kN3,kO)- (9CI))

Copper,bis(L-histidinato-kN,kN3,kO)- (9CI) structure
12561-67-0 structure
Product Name:Copper,bis(L-histidinato-kN,kN3,kO)- (9CI)
CAS No:12561-67-0
MF:C12H16CuN6O4
MW:371.839242935181
CID:98654
PubChem ID:151722
Update Time:2025-04-18

Copper,bis(L-histidinato-kN,kN3,kO)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Copper,bis(L-histidinato-kN,kN3,kO)- (9CI)
    • copper bis(histidinate)
    • copper,(2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
    • Copper bishistidinate
    • copper(2+) bis[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoate]
    • copper(2+) bis[2-amino-3-(1H-imidazol-5-yl)propanoate]
    • Copper, bis(L-histidinato-N,N3,O)-
    • Cu(His)2
    • 9078K3MO9U
    • Copper, bis(L-histidinato-kappaN,kappaO)-
    • L-Histidine, copper(2+) salt (2:1)
    • Copper histidinate
    • UNII-9078K3MO9U
    • Copper, bis(l-histidinato)-
    • Copper, bis(L-histidinato-N,O)-
    • 13870-80-9
    • Copper Histidine
    • Bis(L-histidinato-N,O)copper
    • Bishistidine copper(II) salt
    • copper;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
    • COPPER, BIS(L-HISTIDINATO-.KAPPA.N,.KAPPA.O)-
    • DTXSID30154803
    • SCHEMBL895831
    • Q27271298
    • J1.412.545K
    • 12561-67-0
    • Inchi: 1S/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
    • InChI Key: UUYDYUZBCIHUFZ-MDTVQASCSA-L
    • SMILES: [Cu+2].[O-]C([C@H](CC1=CN=CN1)N)=O.[O-]C([C@H](CC1=CN=CN1)N)=O

Computed Properties

  • Exact Mass: 371.052904
  • Monoisotopic Mass: 371.052904
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 145
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 190

Experimental Properties

  • Boiling Point: 458.9°C at 760 mmHg
  • Flash Point: 231.3°C
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