Cas no 68436-52-2 (3,6,9,12,15,18-Hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione)

3,6,9,12,15,18-Hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione structure
68436-52-2 structure
Product Name:3,6,9,12,15,18-Hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione
CAS No:68436-52-2
MF:C17H23NO8
MW:369.36642575264
CID:521553
PubChem ID:326428
Update Time:2025-04-19

3,6,9,12,15,18-Hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione Chemical and Physical Properties

Names and Identifiers

    • 3,6,9,12,15,18-Hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione
    • 3,6,9,12,15,18-hexaoxa-1(2,6)-pyridina-cyclononadecaphane-2,19-dione
    • 3,6,9,12,15,18-hexaoxa-24-azabicyclo< 18.3.1> tetracosa-1(24),20,22-triene-2,19-dione
    • AC1L6YC4
    • CTK2F8129
    • diketopyridino-21-crown-7
    • NSC297849
    • DTXSID80315841
    • NSC-297849
    • 68436-52-2
    • Inchi： 1S/C17H23NO8/c19-16-14-2-1-3-15(18-14)17(20)26-13-11-24-9-7-22-5-4-21-6-8-23-10-12-25-16/h1-3H,4-13H2
    • InChI Key： AMPARQYNARQIJH-UHFFFAOYSA-N
    • SMILES： O1CCOCCOC(C2=CC=CC(C(=O)OCCOCCOCC1)=N2)=O

Computed Properties

  • Exact Mass: 369.14239
  • Monoisotopic Mass: 369.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 0
  • Complexity: 384
  • 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: 0.4
  • Topological Polar Surface Area: 102?2

Experimental Properties

  • Density: 1.164
  • Boiling Point: 643°C at 760 mmHg
  • Flash Point: 342.7°C
  • Refractive Index: 1.466
  • PSA: 102.41
  • LogP: 0.47520

3,6,9,12,15,18-Hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione Related Literature

68436-52-2 (3,6,9,12,15,18-Hexaoxa-24-azabicyclo[18.3.1]tetracosa-1(24),20,22-triene-2,19-dione) Related Products

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