Cas no 21845-23-8 (1-Hexanamine, N,N-dihexyl-, hydrobromide)

1-Hexanamine, N,N-dihexyl-, hydrobromide structure
21845-23-8 structure
Product Name:1-Hexanamine, N,N-dihexyl-, hydrobromide
CAS No:21845-23-8
MF:C18H40BrN
MW:350.42090511322
CID:1404432
PubChem ID:71358200
Update Time:2025-04-20

1-Hexanamine, N,N-dihexyl-, hydrobromide Chemical and Physical Properties

Names and Identifiers

    • 1-Hexanamine, N,N-dihexyl-, hydrobromide
    • N,N-dihexylhexan-1-amine,hydrobromide
    • N,N-Dihexylhexan-1-amine--hydrogen bromide (1/1)
    • DTXSID70782220
    • 21845-23-8
    • Inchi: 1S/C18H39N.BrH/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3;/h4-18H2,1-3H3;1H
    • InChI Key: OZHVLOFHCQYIJW-UHFFFAOYSA-N
    • SMILES: Br.N(CCCCCC)(CCCCCC)CCCCCC

Computed Properties

  • Exact Mass: 349.2346
  • Monoisotopic Mass: 349.23441g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 15
  • Complexity: 127
  • 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: 3.2?2

Experimental Properties

  • PSA: 3.24
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