7-(3-Chloropropyl)theophylline

7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione

CAS: 2770-66-3

Molecular Formula	`C10H13ClN4O2`
Molecular Weight	256.69 g/mol
LogP	0.4
Topological Polar Surface Area	58.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	256.0727
Heavy Atoms	17
Complexity	338.0

Chemical Identifiers

CAS Number	2770-66-3
SMILES	`CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCl`
InChIKey	`MORVOYPJRATMRS-UHFFFAOYSA-N`

📖 Product Overview

7-(3-Chloropropyl)theophylline (CAS: 2770-66-3) is a chemical compound with molecular formula C10H13ClN4O2 and molecular weight 256.69 g/mol. Its IUPAC systematic name is 7-(3-chloropropyl)-1,3-dimethylpurine-2,6-dione. LogP 0.4 Topological Polar Surface Area 58.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 256.0727 Heavy Atoms 17 Complexity 338.0 InChI Key: MORVOYPJRATMRS-UHFFFAOYSA-N. SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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