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Methylxanthine
[CAS# 28109-92-4]

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Identification
Name Methylxanthine
Synonyms 7-Methylxanthine; 1H-Purine-2,6-Dione, 3,7-Dihydro-7-Methyl-; 7-Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
Molecular Structure CAS#: 28109-92-4, Methylxanthine
Molecular Formula C6H6N4O2
Molecular Weight 166.14
CAS Registry Number 28109-92-4
SMILES C2=NC1=C(C(NC(N1)=O)=O)[N]2C
InChI 1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKey PFWLFWPASULGAN-UHFFFAOYSA-N
Properties
Density 1.8±0.1g/cm3 (Cal.)
Melting point 300°C (Expl.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
References
(1) Ayanna U. Jackson, Juan F. Garcia-Reyes, Jason D. Harper, Joshua S. Wiley, Antonio Molina-Díaz, Zheng Ouyang and R. Graham Cooks. Analysis of drugs of abuse in biofluids by low temperature plasma (LTP) ionization mass spectrometry, Analyst, 2010, 135, 927.
Market Analysis Reports
List of Reports Available for Methylxanthine
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