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Methylxanthine
[CAS 28109-92-4]

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Achemica Switzerland
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Chemical manufacturer since 2010
Alfa Aesar. USA
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Chemical manufacturer since 1997
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Santa Cruz Biotechnology, Inc. USA
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Sigma-Aldrich, Inc. USA
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Chemical manufacturer since 1992
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 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
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