Cas no 17812-41-8 (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol;iodide)

8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol;iodide structure
17812-41-8 structure
Product Name:8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol;iodide
CAS No:17812-41-8
MF:C10H20INO
MW:297.176375389099
CID:1371807
PubChem ID:13710639
Update Time:2025-04-20

8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol;iodide Chemical and Physical Properties

Names and Identifiers

    • NSC72856
    • AGN-PC-00NNT6
    • 8syn-ethyl-3endo-hydroxy-8anti-methyl-nortropanium, iodide
    • 8syn-Aethyl-3endo-hydroxy-8anti-methyl-nortropanium, Jodid
    • 8-Azoniabicyclo[3.2.1]octane, 8-ethyl-3-hydroxy-8-methyl-, iodide
    • 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol,iodide
    • 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol
    • iodide
    • NSC-72856
    • 17812-41-8
    • 8-Ethyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-8-ium iodide
    • DTXSID00547384
    • 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol;iodide
    • Inchi: 1S/C10H20NO.HI/c1-3-11(2)8-4-5-9(11)7-10(12)6-8;/h8-10,12H,3-7H2,1-2H3;1H/q+1;/p-1
    • InChI Key: VQKZQMNGNDTOMT-UHFFFAOYSA-M
    • SMILES: [I-].OC1CC2CCC(C1)[N+]2(C)CC

Computed Properties

  • Exact Mass: 170.1546
  • Monoisotopic Mass: 297.058957
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 167
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 20.23
  • LogP: -1.89860
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