Cas no 6309-64-4 (2-butyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindolium)

2-butyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindolium structure
6309-64-4 structure
Product Name:2-butyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindolium
CAS No:6309-64-4
MF:C14H24IN
MW:333.251536369324
CID:1651562
PubChem ID:24185655
Update Time:2025-04-21

2-butyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindolium Chemical and Physical Properties

Names and Identifiers

    • 2-butyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindolium
    • 2ξ-butyl-2ξ-methyl-(3ac,7ac)-1,3,3a,4,7,7a-hexahydro-4r,7c-methano-isoindolium, iodide
    • 2-Butyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-2-ium iodide
    • DTXSID00637118
    • NSC-41611
    • 6309-64-4
    • NSC41611
    • Inchi： 1S/C14H24N.HI/c1-3-4-7-15(2)9-13-11-5-6-12(8-11)14(13)10-15;/h5-6,11-14H,3-4,7-10H2,1-2H3;1H/q+1;/p-1
    • InChI Key： BTSNSWRFAGCFCA-UHFFFAOYSA-M
    • SMILES： [I-].[N+]1(C)(CCCC)CC2C3C=CC(C3)C2C1

Computed Properties

  • Exact Mass: 206.19102
  • Monoisotopic Mass: 333.09535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 261
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0

2-butyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindolium Related Literature

6309-64-4 (2-butyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindolium) Related Products

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