Cas no 30237-08-2 (1,6-Hexanediaminium,N1,N6-dihexadecyl-N1,N1,N6,N6-tetramethyl-, iodide (1:2))

1,6-Hexanediaminium,N1,N6-dihexadecyl-N1,N1,N6,N6-tetramethyl-, iodide (1:2) structure
30237-08-2 structure
Product Name:1,6-Hexanediaminium,N1,N6-dihexadecyl-N1,N1,N6,N6-tetramethyl-, iodide (1:2)
CAS No:30237-08-2
MF:C42H90I2N2
MW:876.986358165741
CID:313224
PubChem ID:34860
Update Time:2025-04-19

1,6-Hexanediaminium,N1,N6-dihexadecyl-N1,N1,N6,N6-tetramethyl-, iodide (1:2) Chemical and Physical Properties

Names and Identifiers

    • 1,6-Hexanediaminium,N1,N6-dihexadecyl-N1,N1,N6,N6-tetramethyl-, iodide (1:2)
    • hexadecyl-[6-[hexadecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium,diiodide
    • DTXSID30952609
    • Hexamethylenebis(dimethylhexadecylammonium), diiodide
    • 30237-08-2
    • AMMONIUM, HEXAMETHYLENEBIS(DIMETHYLHEXADECYL-, DIIODIDE
    • 1,6-Hexanediamine, N,N'-dihexadecyl-N,N'-dimethyl-, dimethiodide
    • N~1~,N~6~-Dihexadecyl-N~1~,N~1~,N~6~,N~6~-tetramethylhexane-1,6-bis(aminium) diiodide
    • N1,N6-Dihexadecyl-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium iodide
    • Inchi: 1S/C42H90N2.2HI/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43(3,4)41-37-33-34-38-42-44(5,6)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h7-42H2,1-6H3;2*1H/q+2;;/p-2
    • InChI Key: OIGAUQAAFLKQBA-UHFFFAOYSA-L
    • SMILES: [I-].[I-].[N+](C)(C)(CCCCCCCCCCCCCCCC)CCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 785.8142
  • Monoisotopic Mass: 876.519337
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 37
  • Complexity: 492
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0

Experimental Properties

  • PSA: 0
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