1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1-amino-2-propanol (1:1)

CAS Registry Number®

5600-19-1

CAS Name

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1-amino-2-propanol (1:1)

Molecular Formula

C7H8N4O2.C3H9NO

Cite this Page

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1-amino-2-propanol (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5600-19-1 (retrieved 2024-11-25) (CAS RN: 5600-19-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142.6 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H8N4O2.C3H9NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(5)2-4/h3H,1-2H3,(H,8,9);3,5H,2,4H2,1H3

InChIKey

InChIKey=QFJDTNNSYMKICD-UHFFFAOYSA-N

SMILES

C(CN)(C)O.O=C1C2=C(N(C)C(=O)N1C)N=CN2

Canonical SMILES

O=C1C=2NC=NC2N(C(=O)N1C)C.OC(C)CN

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1-amino-2-propanol (1:1)
  • Theophylline, compd. with 1-amino-2-propanol (1:1)
  • 2-Propanol, 1-amino-, compd. with theophylline (1:1)
  • 2-Propanol, 1-amino-, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • Theophylline compd. with 1-amino-2-propanol

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CAS INSIGHTSTM
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