7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

1919-38-6

CAS Name

7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C10H13ClN4O2

Molecular Mass

256.69

Cite this Page

7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1919-38-6 (retrieved 2024-12-23) (CAS RN: 1919-38-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-152 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H13ClN4O2/c1-6(11)4-15-5-12-8-7(15)9(16)14(3)10(17)13(8)2/h5-6H,4H2,1-3H3

InChIKey

InChIKey=YAPLUWBOORSOHV-UHFFFAOYSA-N

SMILES

C(C(C)Cl)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1

Canonical SMILES

O=C1C2=C(N=CN2CC(Cl)C)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-(2-chloropropyl)-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 7-(2-chloropropyl)-
  • 7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Deleted or Replaced CAS Registry Numbers

137138-19-3

CAS INSIGHTSTM
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