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

CAS Registry Number®

2770-66-3

CAS Name

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

Molecular Formula

C10H13ClN4O2

Molecular Mass

256.69

Cite this Page

7-(3-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=2770-66-3 (retrieved 2024-11-22) (CAS RN: 2770-66-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3

InChIKey

InChIKey=MORVOYPJRATMRS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1C2=C(N=CN2CCCCl)N(C(=O)N1C)C

Other Names for this Substance

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

View All

CAS INSIGHTSTM
Hourglass and a clock