Cas no 10315-08-9 (1-Azoniabicyclo[2.2.2]octane,3-oxo-1-(phenylmethyl)-, bromide (1:1))

1-Azoniabicyclo[2.2.2]octane,3-oxo-1-(phenylmethyl)-, bromide (1:1) structure
10315-08-9 structure
Product Name:1-Azoniabicyclo[2.2.2]octane,3-oxo-1-(phenylmethyl)-, bromide (1:1)
CAS No:10315-08-9
MF:C14H18NO
MW:216.298823833466
CID:219639
PubChem ID:430730
Update Time:2025-04-19

1-Azoniabicyclo[2.2.2]octane,3-oxo-1-(phenylmethyl)-, bromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Azoniabicyclo[2.2.2]octane,3-oxo-1-(phenylmethyl)-, bromide (1:1)
    • 1-benzyl-1-azoniabicyclo[2.2.2]octan-3-one
    • 1-benzyl-1-azoniabicyclo[2.2.2]octan-3-one bromide
    • 1-benzyl-1-azoniabicyclo< 2.2.2> octan-3-one bromide
    • 1-Benzyl-1lambda(5)-azabicyclo(2.2.2)octan-3-one
    • 1-benzyl-3-oxoquinuclidinium bromide
    • AC1L8PZC
    • NSC281648
    • 1-Benzyl-1.lambda.~5~-azabicyclo[2.2.2]octan-3-one
    • 1-benzylquinuclidin-1-ium-3-one
    • 10315-08-9
    • NSC 281648
    • DTXSID10145673
    • Inchi： 1S/C14H18NO/c16-14-11-15(8-6-13(14)7-9-15)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2/q+1
    • InChI Key： FVHJUTYAQQXYIV-UHFFFAOYSA-N
    • SMILES： O=C1C[N+]2(CC3C=CC=CC=3)CCC1CC2

Computed Properties

  • Exact Mass: 216.13894
  • Monoisotopic Mass: 295.057
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 273
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1A^2
  • XLogP3: 1.8

Experimental Properties

  • PSA: 17.07
  • LogP: -1.04110

1-Azoniabicyclo[2.2.2]octane,3-oxo-1-(phenylmethyl)-, bromide (1:1) Related Literature

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