Cas no 17123-19-2 (9H-Purin-6-amine,9-octadecyl-)

9H-Purin-6-amine,9-octadecyl- structure
9H-Purin-6-amine,9-octadecyl- structure
Product Name:9H-Purin-6-amine,9-octadecyl-
CAS No:17123-19-2
MF:C23H41N5
MW:387.605145215988
CID:232025
PubChem ID:323602
Update Time:2025-04-19

9H-Purin-6-amine,9-octadecyl- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-6-amine,9-octadecyl-
    • 9-octadecylpurin-6-amine
    • NSC-285128
    • 9-Octadecyl-9H-purin-6-amine
    • NSC285128
    • 17123-19-2
    • DTXSID20314535
    • 9-octadecyladenine
    • Inchi: 1S/C23H41N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-20-27-21-22(24)25-19-26-23(21)28/h19-20H,2-18H2,1H3,(H2,24,25,26)
    • InChI Key: AMFVTCHMGYXZSW-UHFFFAOYSA-N
    • SMILES: N1(C=NC2=C(N)N=CN=C12)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 387.33653
  • Monoisotopic Mass: 387.33619633g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 17
  • Complexity: 365
  • 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: 8.8
  • Topological Polar Surface Area: 69.6?2

Experimental Properties

  • PSA: 69.62
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