Cas no 280575-77-1 (1H-Purine, 6-[(2-hexyldecyl)oxy]-)

1H-Purine, 6-[(2-hexyldecyl)oxy]- structure
280575-77-1 structure
Product Name:1H-Purine, 6-[(2-hexyldecyl)oxy]-
CAS No:280575-77-1
MF:C21H36N4O
MW:360.536745071411
CID:1433397
PubChem ID:13006655
Update Time:2025-04-20

1H-Purine, 6-[(2-hexyldecyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • 1H-Purine, 6-[(2-hexyldecyl)oxy]-
    • 6-(2-hexyldecoxy)-7H-purine
    • 280575-77-1
    • DTXSID40514878
    • 6-[(2-Hexyldecyl)oxy]-7H-purine
    • Inchi: 1S/C21H36N4O/c1-3-5-7-9-10-12-14-18(13-11-8-6-4-2)15-26-21-19-20(23-16-22-19)24-17-25-21/h16-18H,3-15H2,1-2H3,(H,22,23,24,25)
    • InChI Key: MZUYRHCKFNQRQP-UHFFFAOYSA-N
    • SMILES: O(C1C2=C(N=CN2)N=CN=1)CC(CCCCCC)CCCCCCCC

Computed Properties

  • Exact Mass: 360.28891178g/mol
  • Monoisotopic Mass: 360.28891178g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 15
  • Complexity: 342
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.9
  • Topological Polar Surface Area: 63.7?2
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