Cas no 105098-65-5 (Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI))

Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI) structure
105098-65-5 structure
Product Name:Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI)
CAS No:105098-65-5
MF:C30H46I2N2O2
MW:720.507393360138
CID:187943
PubChem ID:128782
Update Time:2025-04-19

Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI) Chemical and Physical Properties

Names and Identifiers

    • Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI)
    • 1,1'-((1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-2,1-ethanediyl))bis(1,4-dimethylpiperidinium)
    • 2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxyethyl]phenyl]phenyl]ethanol,diiodide
    • Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,di...
    • A 5
    • AC1L2UF7
    • ACMC-20m7x5
    • AG-D-18218
    • CTK4A3596
    • Hemicholinium 3 A-5
    • 1,1'-[[1,1'-Biphenyl]-4,4'-diylbis(2-hydroxyethane-2,1-diyl)]bis(1,4-dimethylpiperidin-1-ium) diiodide
    • 2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxyethyl]phenyl]phenyl]ethanol;diiodide
    • Piperidinium, 1,1'-((1,1'-biphenyl)-4,4'-diylbis(2-hydroxy-2,1-ethanediyl))bis(1,4-dimethyl-, diiodide
    • 105098-65-5
    • DTXSID80909325
    • Inchi： 1S/C30H46N2O2.2HI/c1-23-13-17-31(3,18-14-23)21-29(33)27-9-5-25(6-10-27)26-7-11-28(12-8-26)30(34)22-32(4)19-15-24(2)16-20-32;;/h5-12,23-24,29-30,33-34H,13-22H2,1-4H3;2*1H/q+2;;/p-2
    • InChI Key： XWBHHHNTKSWNRM-UHFFFAOYSA-L
    • SMILES： [I-].[I-].OC(C1C=CC(=CC=1)C1C=CC(=CC=1)C(C[N+]1(C)CCC(C)CC1)O)C[N+]1(C)CCC(C)CC1

Computed Properties

  • Exact Mass: 466.35618
  • Monoisotopic Mass: 720.165
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 7
  • Complexity: 553
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 40.46
  • LogP: -0.90100

Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI) Related Literature

105098-65-5 (Piperidinium,1,1'-[[1,1'-biphenyl]-4,4'-diylbis(2-hydroxy-2,1-ethanediyl)]bis[1,4-dimethyl-,diiodide (9CI)) Related Products

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