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  • 705225 - 7-Methylxanthine-2,4,5,6-13C4, 1,3-15N2 (with variable 15N labeling at N9)

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705225 Sigma-Aldrich

7-Methylxanthine-2,4,5,6-13C4, 1,3-15N2 (with variable 15N labeling at N9)

≥98 atom %, ≥98% (CP)

Synonym: 2,6-Dihydroxy-7-methylpurine-2,4,5,6-13C4, 1,3-15N2 (partial 15N labeling at N9)

  • Empirical Formula (Hill Notation) 13C4C2H615N2N2O2

  • Molecular Weight 172.09

  •  MDL number MFCD11656102

  •  PubChem Substance ID 329762515

  •  NACRES NA.24

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Properties

Related Categories Caffeine and Caffeine Metabolites, Metabolites and Bioactive Compounds, Stable Isotopes More...
Quality Level   200
isotopic purity   ≥98 atom %
assay   ≥98% (CP)
mp   ≥300 °C
mass shift   M+7
storage temp.   −20°C
  −20°C
SMILES string   Cn1c[15n][13c]2[15NH][13C](=O)[15NH][13C](=O)[13c]12
InChI   1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)/i3+1,4+1,5+1,6+1,7+1,8+1,9+1
InChI key   PFWLFWPASULGAN-JVYICBGUSA-N

Description

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Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
2

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