8-(Cyclopentyloxy)caffeine

8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione

CAS: 73747-33-8

Molecular Formula	`C13H18N4O3`
Molecular Weight	278.31 g/mol
LogP	1.1
Topological Polar Surface Area	67.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	278.13788
Heavy Atoms	20
Complexity	424.0

Chemical Identifiers

CAS Number	73747-33-8
SMILES	`CN1C2=C(N=C1OC3CCCC3)N(C(=O)N(C2=O)C)C`
InChIKey	`DBMKBAZKDMFYLG-UHFFFAOYSA-N`

📖 Product Overview

8-(Cyclopentyloxy)caffeine (CAS: 73747-33-8) is a chemical compound with molecular formula C13H18N4O3 and molecular weight 278.31 g/mol. Its IUPAC systematic name is 8-cyclopentyloxy-1,3,7-trimethylpurine-2,6-dione. LogP 1.1 Topological Polar Surface Area 67.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 278.13788 Heavy Atoms 20 Complexity 424.0 InChI Key: DBMKBAZKDMFYLG-UHFFFAOYSA-N. SMILES: CN1C2=C(N=C1OC3CCCC3)N(C(=O)N(C2=O)C)C.

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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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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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