Cas no 51559-59-2 (6H-Purin-6-one,1-ethyl-1,9-dihydro-)

6H-Purin-6-one,1-ethyl-1,9-dihydro- structure
51559-59-2 structure
Product Name:6H-Purin-6-one,1-ethyl-1,9-dihydro-
CAS No:51559-59-2
MF:C7H8N4O
MW:164.164620399475
CID:380908
PubChem ID:241174
Update Time:2025-04-19

6H-Purin-6-one,1-ethyl-1,9-dihydro- Chemical and Physical Properties

Names and Identifiers

    • 6H-Purin-6-one,1-ethyl-1,9-dihydro-
    • 1-ethyl-7H-purin-6-one
    • 51559-59-2
    • DTXSID40286942
    • NSC-48393
    • 1-Ethyl-1H-purin-6(9H)-one
    • SCHEMBL1993927
    • 1-ethyl-6,9-dihydro-1H-purin-6-one
    • NSC48393
    • Inchi: 1S/C7H8N4O/c1-2-11-4-10-6-5(7(11)12)8-3-9-6/h3-4H,2H2,1H3,(H,8,9)
    • InChI Key: WGFUXYVCRPUUHZ-UHFFFAOYSA-N
    • SMILES: O=C1C2=C(N=CN2)N=CN1CC

Computed Properties

  • Exact Mass: 164.06994
  • Monoisotopic Mass: 164.07
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 227
  • 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: 0.1
  • Topological Polar Surface Area: 61.4?2

Experimental Properties

  • Density: 1.49
  • Boiling Point: 455.3°Cat760mmHg
  • Flash Point: 229.1°C
  • Refractive Index: 1.725
  • PSA: 61.35
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