Cas no 58895-89-9 (1,4-Diazoniabicyclo[2.2.2]octane, 2-carboxy-1,4-dimethyl-, dibromide)

1,4-Diazoniabicyclo[2.2.2]octane, 2-carboxy-1,4-dimethyl-, dibromide structure
58895-89-9 structure
Product Name:1,4-Diazoniabicyclo[2.2.2]octane, 2-carboxy-1,4-dimethyl-, dibromide
CAS No:58895-89-9
MF:C9H18Br2N2O2
MW:346.059421062469
CID:340499
PubChem ID:12295735
Update Time:2025-04-19

1,4-Diazoniabicyclo[2.2.2]octane, 2-carboxy-1,4-dimethyl-, dibromide Chemical and Physical Properties

Names and Identifiers

    • 1,4-Diazoniabicyclo[2.2.2]octane, 2-carboxy-1,4-dimethyl-, dibromide
    • 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane-3-carboxylic acid,dibromide
    • DTXSID10485521
    • 58895-89-9
    • Inchi： 1S/C9H17N2O2.2BrH/c1-10-3-5-11(2,6-4-10)8(7-10)9(12)13;;/h8H,3-7H2,1-2H3;2*1H/q+1;;/p-1
    • InChI Key： NXVVYVLQAZLZBT-UHFFFAOYSA-M
    • SMILES： [Br-].[Br-].OC(C1C[N+]2(C)CC[N+]1(C)CC2)=O

Computed Properties

  • Exact Mass: 325.8326
  • Monoisotopic Mass: 343.97350g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 244
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 36.97

1,4-Diazoniabicyclo[2.2.2]octane, 2-carboxy-1,4-dimethyl-, dibromide Related Literature

58895-89-9 (1,4-Diazoniabicyclo[2.2.2]octane, 2-carboxy-1,4-dimethyl-, dibromide) Related Products

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