Cas no 125162-78-9 (3-(1,4,8,11-Tetraazacyclotetradecan-1-YL)propan-1-amine)

3-(1,4,8,11-Tetraazacyclotetradecan-1-YL)propan-1-amine structure
125162-78-9 structure
Product Name:3-(1,4,8,11-Tetraazacyclotetradecan-1-YL)propan-1-amine
CAS No:125162-78-9
MF:C13H31N5
MW:257.418742418289
CID:2760640
PubChem ID:14457356
Update Time:2025-04-21

3-(1,4,8,11-Tetraazacyclotetradecan-1-YL)propan-1-amine Chemical and Physical Properties

Names and Identifiers

    • DTXSID80560571
    • 3-(1,4,8,11-TETRAAZACYCLOTETRADECAN-1-YL)PROPAN-1-AMINE
    • SCHEMBL9593222
    • 125162-78-9
    • 3-(1,4,8,11-Tetraazacyclotetradecan-1-YL)propan-1-amine
    • Inchi: 1S/C13H31N5/c14-4-1-11-18-12-3-7-16-9-8-15-5-2-6-17-10-13-18/h15-17H,1-14H2
    • InChI Key: JNCKAOBIPWIVLN-UHFFFAOYSA-N
    • SMILES: N1(CCCN)CCNCCCNCCNCCC1

Computed Properties

  • Exact Mass: 257.25794601Da
  • Monoisotopic Mass: 257.25794601Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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: -1.1
  • Topological Polar Surface Area: 65.4?2
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