7-(3-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CAS Registry Number®
2770-66-3
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CAS Name
7-(3-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dioneMolecular Formula
C10H13ClN4O2Molecular Mass
256.69Cite 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 ) (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
