Cas no 593284-49-2 (1,4,7,10,13,16-Hexaazacyclooctadecane-1-ethanamine)

1,4,7,10,13,16-Hexaazacyclooctadecane-1-ethanamine structure
593284-49-2 structure
Product Name:1,4,7,10,13,16-Hexaazacyclooctadecane-1-ethanamine
CAS No:593284-49-2
MF:C14H35N7
MW:301.474601984024
CID:2834128
PubChem ID:11822761
Update Time:2025-04-21

1,4,7,10,13,16-Hexaazacyclooctadecane-1-ethanamine Chemical and Physical Properties

Names and Identifiers

    • 593284-49-2
    • DTXSID70473863
    • 1,4,7,10,13,16-Hexaazacyclooctadecane-1-ethanamine
    • Inchi: 1S/C14H35N7/c15-1-12-21-13-10-19-8-6-17-4-2-16-3-5-18-7-9-20-11-14-21/h16-20H,1-15H2
    • InChI Key: QUOMENADGBGLQB-UHFFFAOYSA-N
    • SMILES: N1(CCN)CCNCCNCCNCCNCCNCC1

Computed Properties

  • Exact Mass: 301.29539415Da
  • Monoisotopic Mass: 301.29539415Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 197
  • 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: -3.1
  • Topological Polar Surface Area: 89.4?2
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