Cas no 57905-96-1 (1,4-Butanediamine, N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-)

1,4-Butanediamine, N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl- structure
57905-96-1 structure
Product Name:1,4-Butanediamine, N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-
CAS No:57905-96-1
MF:C16H38N4
MW:286.499723911285
CID:343842
PubChem ID:419373
Update Time:2025-04-19

1,4-Butanediamine, N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Butanediamine, N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-
    • N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethylbutane-1,4-diamine
    • DTXSID30329317
    • Permethylspermine
    • GXXHZRAEWHAFOT-UHFFFAOYSA-N
    • SCHEMBL10230058
    • 57905-96-1
    • Inchi: 1S/C16H38N4/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h7-16H2,1-6H3
    • InChI Key: GXXHZRAEWHAFOT-UHFFFAOYSA-N
    • SMILES: N(C)(CCCN(C)C)CCCCN(C)CCCN(C)C

Computed Properties

  • Exact Mass: 286.30994
  • Monoisotopic Mass: 286.30964723g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 13
  • Complexity: 185
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 13?2

Experimental Properties

  • PSA: 12.96
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