Cas no 62748-26-9 (Pyridinium, 1-hexadecyl-4-methyl-, perchlorate)

Pyridinium, 1-hexadecyl-4-methyl-, perchlorate structure
62748-26-9 structure
Product Name:Pyridinium, 1-hexadecyl-4-methyl-, perchlorate
CAS No:62748-26-9
MF:C22H40ClNO4
MW:418.010306358337
CID:433310
PubChem ID:71383206
Update Time:2025-04-19

Pyridinium, 1-hexadecyl-4-methyl-, perchlorate Chemical and Physical Properties

Names and Identifiers

    • Pyridinium, 1-hexadecyl-4-methyl-, perchlorate
    • 1-hexadecyl-4-methylpyridin-1-ium,perchlorate
    • DTXSID50805542
    • 1-HEXADECYL-4-METHYLPYRIDIN-1-IUM PERCHLORATE
    • 62748-26-9
    • Inchi: 1S/C22H40N.ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-22(2)18-21-23;2-1(3,4)5/h17-18,20-21H,3-16,19H2,1-2H3;/q+1;-1
    • InChI Key: GQISRAHKANBVLE-UHFFFAOYSA-N
    • SMILES: [Cl+3]([O-])([O-])([O-])[O-].[N+]1(C=CC(C)=CC=1)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 417.2648
  • Monoisotopic Mass: 417.2645865g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 15
  • Complexity: 326
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 78.2?2

Experimental Properties

  • PSA: 78.15
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