CAS 611-59-6 1,7-Dimethylxanthine - Analytical Products / Alfa Chemistry

CAT	APS611596A
CAS	611-59-6
Structure
MDL Number	MFCD00005727
Synonyms	Caffeine Imp. F (EP), Paraxanthine, 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione,1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-, 1,7-Dimethylxanthine, NSC 400018, 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, Paraxanthine (6CI,7CI,8CI)
IUPAC Name	1,7-dimethyl-3H-purine-2,6-dione
Molecular Weight	180.16
Molecular Formula	C7H8N4O2
EC Number	210-271-9
Canonical SMILES	CN1C(=O)Nc2ncn(C)c2C1=O
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)
InChI Key	QUNWUDVFRNGTCO-UHFFFAOYSA-N
REAXYS Number	197907

Description	~98%, solid
Solubility	ethanol: 0.6 mg/mL; H2O: 1 mg/mL; 0.1 M NaOH: 2 mg/mL
Accurate Mass	180.0647
Assay	~98%
Color	white
Form	solid
Format	Neat
MP	294-296 °C (lit.)
Product Type	Metabolite
Shipping	Room Temperature
Size	100MG, 500MG
Storage Conditions	+20°C
Subcategory	Pharmaceutical and veterinary compounds and metabolites