Cas no 100242-25-9 (1,4-Butanediamine, N-(3-aminopropyl)-N'-[3-(methylamino)propyl]-)

1,4-Butanediamine, N-(3-aminopropyl)-N'-[3-(methylamino)propyl]- structure
100242-25-9 structure
Product Name:1,4-Butanediamine, N-(3-aminopropyl)-N'-[3-(methylamino)propyl]-
CAS No:100242-25-9
MF:C11H28N4
MW:216.366822242737
CID:1127368
PubChem ID:15609780
Update Time:2025-04-20

1,4-Butanediamine, N-(3-aminopropyl)-N'-[3-(methylamino)propyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Butanediamine, N-(3-aminopropyl)-N'-[3-(methylamino)propyl]-
    • N-(3-aminopropyl)-N'-[3-(methylamino)propyl]butane-1,4-diamine
    • 100242-25-9
    • DTXSID80575701
    • SCHEMBL5418689
    • N~1~-(3-Aminopropyl)-N~4~-[3-(methylamino)propyl]butane-1,4-diamine
    • methylspermine
    • 1,4-Butanediamine, N1-(3-aminopropyl)-N4-[3-(methylamino)propyl]-
    • Inchi: 1S/C11H28N4/c1-13-7-5-11-15-9-3-2-8-14-10-4-6-12/h13-15H,2-12H2,1H3
    • InChI Key: YZQIXDNUIPBJHG-UHFFFAOYSA-N
    • SMILES: N(CCCNC)CCCCNCCCN

Computed Properties

  • Exact Mass: 216.23164
  • Monoisotopic Mass: 216.23139691g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 12
  • Complexity: 109
  • 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: -0.6
  • Topological Polar Surface Area: 62.1?2

Experimental Properties

  • PSA: 62.11
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