Cas no 22247-81-0 (6H-Purin-6-one,1,9-dihydro-9-(2-hydroxyethyl)-)

6H-Purin-6-one,1,9-dihydro-9-(2-hydroxyethyl)- structure
22247-81-0 structure
Product Name:6H-Purin-6-one,1,9-dihydro-9-(2-hydroxyethyl)-
CAS No:22247-81-0
MF:C7H8N4O2
MW:180.16402053833
CID:284286
PubChem ID:135408581
Update Time:2025-04-19

6H-Purin-6-one,1,9-dihydro-9-(2-hydroxyethyl)- Chemical and Physical Properties

Names and Identifiers

    • 6H-Purin-6-one,1,9-dihydro-9-(2-hydroxyethyl)-
    • 2-(6-Amino-9H-purin-9-yl)ethanol
    • 6-Amino-9-(2-hydroxyethyl)purine
    • 9-(2-hydroxy-ethyl)-1,9-dihydro-purin-6-one
    • 9-(2-hydroxyethyl)-9H-adenine
    • 9-(2'-hydroxyethyl)adenine
    • 9-(2-hydroxyethyl)-adenine
    • 9-(2-Hydroxyethyl)adenine
    • 9-(2-Hydroxyethyl)hypoxanthin
    • 9h-purine-9-ethanol, 6-amino-
    • 9-hydroxyethyladenine
    • AC1Q4VHV
    • ACMC-209og5
    • N(9)-2-(hydroxyethyl)adenine
    • NSC51467
    • ST051985
    • 9-(2-hydroxyethyl)-6,9-dihydro-1H-purin-6-one
    • DTXSID30944903
    • 9-HYDROXYETHYL HYPOXANTHINE
    • SCHEMBL10889158
    • NSC-51468
    • NSC51468
    • 9-(2-Hydroxyethyl)-9H-purin-6-ol
    • 9-[2-Hydroxyethyl]hypoxanthine
    • 9-(2-Hydroxyethyl)-1H-purin-6(9H)-one
    • 9-(2-Hydroxyethyl)-1,9-dihydro-6H-purin-6-one #
    • 22247-81-0
    • Inchi： 1S/C7H8N4O2/c12-2-1-11-4-10-5-6(11)8-3-9-7(5)13/h3-4,12H,1-2H2,(H,8,9,13)
    • InChI Key： ABRQSAMTUHCYEW-UHFFFAOYSA-N
    • SMILES： OCCN1C=NC2C(NC=NC1=2)=O

Computed Properties

  • Exact Mass: 180.06484
  • Monoisotopic Mass: 180.065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 243
  • 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: -1.3
  • Topological Polar Surface Area: 79.5?2

Experimental Properties

  • Density: 1.67
  • Boiling Point: 532.6°C at 760 mmHg
  • Flash Point: 275.9°C
  • Refractive Index: 1.764
  • PSA: 79.51
  • LogP: -0.88810

6H-Purin-6-one,1,9-dihydro-9-(2-hydroxyethyl)- Related Literature

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