Cas no 68180-21-2 (9H-Purine,6-chloro-9-octadecyl-)

9H-Purine,6-chloro-9-octadecyl- structure
68180-21-2 structure
Product Name:9H-Purine,6-chloro-9-octadecyl-
CAS No:68180-21-2
MF:C23H39ClN4
MW:407.035564661026
CID:520575
PubChem ID:319176
Update Time:2025-04-19

9H-Purine,6-chloro-9-octadecyl- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purine,6-chloro-9-octadecyl-
    • 6-chloro-9-octadecylpurine
    • NSC-260871
    • 68180-21-2
    • NSC260871
    • DTXSID60312737
    • Inchi: 1S/C23H39ClN4/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
    • InChI Key: RKDHBFHIJFZQOR-UHFFFAOYSA-N
    • SMILES: ClC1=C2C(=NC=N1)N(C=N2)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 406.286325
  • Monoisotopic Mass: 406.286325
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 17
  • Complexity: 369
  • 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: 10.1
  • Topological Polar Surface Area: 43.6

Experimental Properties

  • Density: 1.07
  • Boiling Point: 520.7°C at 760 mmHg
  • Flash Point: 268.7°C
  • Refractive Index: 1.551

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