3-Methylxanthine - CAS 1076-22-8

Catalog: BB002109
Product Name: 3-Methylxanthine
CAS: 1076-22-8
Synonyms: 3-methyl-7H-purine-2,6-dione
3-Methylxanthine
IUPAC Name:3-methyl-7H-purine-2,6-dione
Description:An impurity of Dyphylline which belongs to a class of drugs known as xanthines and is used for reelieving breathing problems caused by bronchial asthma, chronic bronchitis, or emphysema.
Molecular Weight:166.14
Molecular Formula:C6H6N4O2
Canonical SMILES:CN1C2=C(C(=O)NC1=O)NC=N2
InChI:InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
InChI Key:GMSNIKWWOQHZGF-UHFFFAOYSA-N
Boiling Point:322.4 °C at 760 mmHg
Melting Point:> 300 °C
Purity:> 95 %
Density:1.539 g/cm3
Solubility:8394 mg/L at 25 °C (est)
Appearance:Solid
MDL:MFCD00005580
LogP:-1.05010

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Related Functional Groups

Purines

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