1-Methyl Xanthine

Analyte Name

1-Methylxanthine

CAS Number

6136-37-4

Molecular Formula

C6 H6 N4 O2

Molecular Weight

166.14

Accurate Mass

166.0491

Flash Point

-20

SMILES

CN1C(=O)Nc2[nH]cnc2C1=O

InChI

InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)

IUPAC

1-methyl-3,9-dihydropurine-2,6-dione

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Theophylline

Purity

>95% (HPLC)