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  • 705195 - 1-Methylxanthine-2,4,5,6-13C4, 1,3,9-15N3

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705195 Sigma-Aldrich

1-Methylxanthine-2,4,5,6-13C4, 1,3,9-15N3

≥98 atom %, ≥98% (CP)

Synonym: 2,6-Dihydroxy-1-methylpurine-13C4,15N3 (2,4,5,6-13C4, 1,3,9-15N3)

  • CAS Number 1173018-69-3

  • Empirical Formula (Hill Notation) 13C4C2H615N3NO2

  • Molecular Weight 173.09

  •  PubChem Substance ID 329762512

  •  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
SMILES string   C[15N]1[13C](=O)[15NH][13c]2[15nH]cn[13c]2[13C]1=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)/i3+1,4+1,5+1,6+1,8+1,9+1,10+1
InChI key   MVOYJPOZRLFTCP-UDDVCBLJSA-N

Description

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Safety Information

RIDADR 
NONH for all modes of transport
WGK Germany 
3

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