Cas no 20422-16-6 (1,1-dimethylazepanium bromide)

1,1-dimethylazepanium bromide structure
1,1-dimethylazepanium bromide structure
Product Name:1,1-dimethylazepanium bromide
CAS No:20422-16-6
MF:C8H18BrN
MW:208.139221668243
CID:1393915
PubChem ID:30151
Update Time:2025-04-20

1,1-dimethylazepanium bromide Chemical and Physical Properties

Names and Identifiers

    • 1,1-dimethylazepanium bromide
    • 1,1-dimethylazepan-1-ium,bromide
    • 1-Methylhexamethylenimine, methobromide
    • 1H-AZEPINIUM, 1,1-DIMETHYLHEXAHYDRO-, BROMIDE
    • 20422-16-6
    • 1,1-dimethylazepan-1-ium
    • 1,1-dimethylazepan-1-ium bromide
    • SCHEMBL674933
    • N-Dimethylhexamethyleneammonium bromide
    • DTXSID40942596
    • Inchi: 1S/C8H18N.BrH/c1-9(2)7-5-3-4-6-8-9;/h3-8H2,1-2H3;1H/q+1;/p-1
    • InChI Key: NWERLGXEXJUYGT-UHFFFAOYSA-M
    • SMILES: [Br-].[N+]1(C)(C)CCCCCC1

Computed Properties

  • Exact Mass: 188.9214
  • Monoisotopic Mass: 207.062
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 76.6
  • 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: 0A^2

Experimental Properties

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