Paraxanthine

About This Item

Molecular Formula	C₇H₈N₄O₂
CAS Number	611-59-6
Appearance	Solid

FC-0493717

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Properties

Chemical Identifiers

IUPAC Name	1,7-dimethyl-3H-purine-2,6-dione
SMILES	CN1C=NC2=C1C(=O)N(C(=O)N2)C
InChI Key	QUNWUDVFRNGTCO-UHFFFAOYSA-N
InChI	InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)

Physical Properties

Melting Point	351-352°C
Density	1.6 g/cm3

Safety Information

Hazard Class

Warning

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.