Cas no 57859-31-1 (1,3-Propanediamine, N,N-dimethyl-N'-octadecyl-)

1,3-Propanediamine, N,N-dimethyl-N'-octadecyl- structure
57859-31-1 structure
Product Name:1,3-Propanediamine, N,N-dimethyl-N'-octadecyl-
CAS No:57859-31-1
MF:C23H50N2
MW:354.656507015228
CID:343938
PubChem ID:19907949
Update Time:2025-04-19

1,3-Propanediamine, N,N-dimethyl-N'-octadecyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediamine, N,N-dimethyl-N'-octadecyl-
    • N',N'-dimethyl-N-octadecylpropane-1,3-diamine
    • N~1~,N~1~-Dimethyl-N~3~-octadecylpropane-1,3-diamine
    • SCHEMBL1131624
    • DTXSID70601200
    • 57859-31-1
    • Inchi: 1S/C23H50N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25(2)3/h24H,4-23H2,1-3H3
    • InChI Key: PUSFNJAULLXORZ-UHFFFAOYSA-N
    • SMILES: N(CCCN(C)C)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 354.3977
  • Monoisotopic Mass: 354.397399603g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 21
  • Complexity: 228
  • 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: 9
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • PSA: 15.27
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