Cas no 72948-82-4 (4-Aminobicyclo[2.2.2]octan-1-ol)

4-Aminobicyclo[2.2.2]octan-1-ol is a bicyclic organic compound featuring both amino and hydroxyl functional groups, which contribute to its versatility in synthetic chemistry. The rigid bicyclo[2.2.2]octane scaffold provides structural stability, making it a valuable intermediate for the design of pharmaceuticals, ligands, and catalysts. The presence of amino and hydroxyl groups allows for further functionalization, enabling applications in asymmetric synthesis and medicinal chemistry. Its unique geometry also facilitates the study of steric and electronic effects in molecular recognition. This compound is particularly useful in the development of chiral auxiliaries and bioactive molecules due to its well-defined stereochemistry and reactivity.
4-Aminobicyclo[2.2.2]octan-1-ol structure
72948-82-4 structure
Product Name:4-Aminobicyclo[2.2.2]octan-1-ol
CAS No:72948-82-4
MF:C8H15NO
MW:141.210802316666
MDL:MFCD18826885
CID:551330
PubChem ID:12560134
Update Time:2025-05-27

4-Aminobicyclo[2.2.2]octan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 4-Aminobicyclo[2.2.2]octan-1-ol
    • 1-aminobicyclo[2.2.2]octan-4-ol
    • Bicyclo[2.2.2]octan-1-ol, 4-amino- (9CI)
    • Bicyclo[2.2.2]octan-1-ol,4-amino-
    • 4-AMINO-BICYCLO[2.2.2]OCTAN-1-OL
    • 4-Amino-bicyclo< 2.2.2> octan-1-ol
    • AG-G-87834
    • ANW-62787
    • CTK5D7134
    • SureCN2827920
    • P12471
    • DTXSID90502563
    • SCHEMBL2827920
    • XOWRJAXBYGZUQY-UHFFFAOYSA-N
    • SB15858
    • CS-0271471
    • AKOS006362541
    • 72948-82-4
    • EN300-2907988
    • Bicyclo[2.2.2]octan-1-ol, 4-amino-
    • 4-aminobicyclo[2.2.2]octane-1-ol
    • MDL: MFCD18826885
    • Inchi: 1S/C8H15NO/c9-7-1-4-8(10,5-2-7)6-3-7/h10H,1-6,9H2
    • InChI Key: XOWRJAXBYGZUQY-UHFFFAOYSA-N
    • SMILES: OC12CCC(CC1)(CC2)N

Computed Properties

  • Exact Mass: 141.11545
  • Monoisotopic Mass: 141.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 131
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • Density: 1.206
  • Melting Point: 196-198 oC
  • Boiling Point: 226 oC
  • Flash Point: 90 oC
  • PSA: 46.25
  • LogP: 1.48310

4-Aminobicyclo[2.2.2]octan-1-ol Pricemore >>

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