Cas no 80660-62-4 (Tetra(piperidine)oxalatoiron)

Tetra(piperidine)oxalatoiron structure
Tetra(piperidine)oxalatoiron structure
Product Name:Tetra(piperidine)oxalatoiron
CAS No:80660-62-4
MF:C22H44FeN4O4
MW:484.454167366028
CID:985953
Update Time:2023-08-02

Tetra(piperidine)oxalatoiron Chemical and Physical Properties

Names and Identifiers

    • iron(+2) cation, oxalate, piperidine
    • iron(2+),oxalate,piperidine
    • Tetra(piperidine)oxalatoiron
    • Iron, tetra(piperidine)oxalato-
    • Iron(2+) ethanedioate--piperidine (1/1/4)
    • Inchi: 1S/4C5H11N.C2H2O4.Fe/c4*1-2-4-6-5-3-1;3-1(4)2(5)6;/h4*6H,1-5H2;(H,3,4)(H,5,6);/q;;;;;+2/p-2
    • InChI Key: QPZYWIVNKHEIBE-UHFFFAOYSA-L
    • SMILES: [Fe+2].[O-]C(C(=O)[O-])=O.N1CCCCC1.N1CCCCC1.N1CCCCC1.N1CCCCC1

Computed Properties

  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 0
  • Complexity: 91.4
  • Covalently-Bonded Unit Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 128
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