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280984 Sigma-Aldrich

1-Methylxanthine

98%

Synonym: 2,6-Dihydroxy-1-methylpurine

  • CAS Number 6136-37-4

  • Empirical Formula (Hill Notation) C6H6N4O2

  • Molecular Weight 166.14

  •  Beilstein/REAXYS Number 171507

  •  EC Number 228-108-5

  •  MDL number MFCD00005561

  •  PubChem Substance ID 329753042

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Properties

assay   98%
mp   ≥300 °C
SMILES string   CN1C(=O)Nc2nc[nH]c2C1=O
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)
InChI key   MVOYJPOZRLFTCP-UHFFFAOYSA-N

Description

Features and Benefits

Caffeine metabolite.

Safety & Documentation

Safety Information

WGK Germany 
3
RTECS 
ZD8575000

Documents

Certificate of Analysis (COA)

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Protocols & Articles

Articles

HPLC Analysis of Caffeine Metabolites and Analogs on Discovery® C18

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Caffeine Metabolites and Analogs on Discovery® C18
Keywords: Chromatography, Clinical, High performance liquid chromatography

HPLC Analysis of Xanthines on Ascentis® C18

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Xanthines on Ascentis® C18
Keywords: Chromatography, High performance liquid chromatography

HPLC Analysis of Xanthines on Purospher®STAR RP-18 endcapped

From our library of Articles, Sigma-Aldrich presents HPLC Analysis of Xanthines on Purospher®STAR RP-18 endcapped
Keywords: Chromatography, Clinical, High performance liquid chromatography, Pharmaceutical, Separation

Peer-Reviewed Papers
15

References

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