Cas no 23146-04-5 (1H-Purine-2,6-dione,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-)

1H-Purine-2,6-dione,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl- structure
23146-04-5 structure
Product Name:1H-Purine-2,6-dione,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-
CAS No:23146-04-5
MF:C10H14N4O3
MW:238.243161678314
CID:263736
PubChem ID:90016
Update Time:2025-04-19

1H-Purine-2,6-dione,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Purine-2,6-dione,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-
    • 7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
    • 3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione
    • 7-(3-Hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion
    • 7-(3-hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
    • 7-(3-Hydroxypropyl)theophyllin
    • 7-(3-Hydroxypropyl)theophylline
    • 7-hydroxypropyl theophylline
    • BRN 0263353
    • EINECS 245-453-7
    • ST077149
    • Theophylline, 7-(3-hydroxypropyl)-
    • X 991
    • NSC-60290
    • 7-(.GAMMA.-HYDROXYPROPYL)THEOPHYLLINE
    • Q5WZC3H2AY
    • NSC60290
    • .gamma.-OT
    • 7-(3-hydroxypropyl) theophylline
    • SCHEMBL9293406
    • AKOS024284508
    • 1H-Purine-2, 3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-
    • gamma-OT
    • NSC 60290
    • NS00051575
    • DTXSID80177724
    • Z112209734
    • 1H-Purine-2,6-dione, 3,7-dihydro-7(3-hydroxypropyl)-1,3-dimethyl-
    • 4-26-00-02367 (Beilstein Handbook Reference)
    • 7-(gamma-Hydroxypropyl)theophylline
    • UNII-Q5WZC3H2AY
    • 23146-04-5
    • 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-
    • X-991
    • WLN: T56 BN DN FNVNVJ B3Q F1 H1
    • Inchi： 1S/C10H14N4O3/c1-12-8-7(9(16)13(2)10(12)17)14(6-11-8)4-3-5-15/h6,15H,3-5H2,1-2H3
    • InChI Key： QCGRMMZPZDAITA-UHFFFAOYSA-N
    • SMILES： O=C1C2=C(N=CN2CCCO)N(C)C(N1C)=O

Computed Properties

  • Exact Mass: 238.10672
  • Monoisotopic Mass: 238.107
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 336
  • 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: _0.8
  • Topological Polar Surface Area: 78.7?2

Experimental Properties

  • Density: 1.45
  • Boiling Point: 508.3°Cat760mmHg
  • Flash Point: 261.2°C
  • Refractive Index: 1.662
  • PSA: 78.67
  • LogP: -1.18390

1H-Purine-2,6-dione,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl- Related Literature

23146-04-5 (1H-Purine-2,6-dione,3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-) Related Products

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