Cas no 70275-59-1 (1-Azoniabicyclo[2.2.2]octane,1-methyl-, chloride (1:1))

1-Azoniabicyclo[2.2.2]octane,1-methyl-, chloride (1:1) structure
70275-59-1 structure
Product Name:1-Azoniabicyclo[2.2.2]octane,1-methyl-, chloride (1:1)
CAS No:70275-59-1
MF:C8H16ClN
MW:161.672341346741
CID:577303
PubChem ID:155480
Update Time:2025-04-19

1-Azoniabicyclo[2.2.2]octane,1-methyl-, chloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1-Azoniabicyclo[2.2.2]octane,1-methyl-, chloride (1:1)
    • 1-methyl-1-azoniabicyclo[2.2.2]octane,chloride
    • Inchi: 1S/C8H16N.ClH/c1-9-5-2-8(3-6-9)4-7-9;/h8H,2-7H2,1H3;1H/q+1;/p-1
    • InChI Key: LRHDJALRZVHQFM-UHFFFAOYSA-M
    • SMILES: [Cl-].[N+]12(C)CCC(CC1)CC2

Computed Properties

  • Exact Mass: 144.972
  • Monoisotopic Mass: 161.097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 98
  • 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: 0?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 0

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