Cas no 64099-45-2 (3-(chloromethyl)-1-azabicyclo2.2.2octane)

3-(chloromethyl)-1-azabicyclo2.2.2octane structure
64099-45-2 structure
Product Name:3-(chloromethyl)-1-azabicyclo2.2.2octane
CAS No:64099-45-2
MF:C8H14ClN
MW:159.656461238861
CID:1115291
PubChem ID:13259909
Update Time:2025-04-20

3-(chloromethyl)-1-azabicyclo2.2.2octane Chemical and Physical Properties

Names and Identifiers

    • 3-(chloromethyl)-1-Azabicyclo[2.2.2]octane
    • 3-CHLOROMETHYLQUINUCLIDINE
    • 3-Chlormethylquinuclidine
    • 3-(chloromethyl)-1-azabicyclo2.2.2octane
    • 64099-45-2
    • NoName_3318
    • SCHEMBL1286305
    • AKOS006242968
    • DB-304610
    • 3-(chloromethyl)quinuclidine
    • DTXSID70902764
    • 3-chloromethyl-quinuclidine
    • EN300-1699884
    • 3-Chloromethyl quinuclidine
    • KWJQNPSDSCTDIZ-UHFFFAOYSA-N
    • Inchi： 1S/C8H14ClN/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-6H2
    • InChI Key： KWJQNPSDSCTDIZ-UHFFFAOYSA-N
    • SMILES： ClCC1CN2CCC1CC2

Computed Properties

  • Exact Mass: 159.08162
  • Monoisotopic Mass: 159.0814771g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 118
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 3.2?2

Experimental Properties

  • PSA: 3.24

3-(chloromethyl)-1-azabicyclo2.2.2octane Pricemore >>

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Enamine
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