3-ISOBUTYL-1-METHYLXANTHINE

About This Item

Molecular Formula	C₁₀H₁₄N₄O₂
CAS Number	28822-58-4

FC-0466527

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Properties

Chemical Identifiers

IUPAC Name	1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
SMILES	CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
InChI Key	APIXJSLKIYYUKG-UHFFFAOYSA-N
InChI	InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)

Physical Properties

Boiling Point	445.6±37.0 °C at 760 mmHg
Melting Point	200-201 °C(lit.)
Flash Point	223.3±26.5 °C
Density	1.3±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

223.3±26.5 °C

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.