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725625 Sigma-Aldrich

Caffeine-(trimethyl-d9)

99 atom % D, 98% (CP)

Synonym: 1,3,7-Trimethyl-d9-xanthine

  • Empirical Formula (Hill Notation) C8D9HN4O2

  • Molecular Weight 203.25

  •  MDL number MFCD06658615

  •  PubChem Substance ID 329764175

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Properties

Related Categories Alphabetical Listings, C, Caffeine and Caffeine Metabolites, Metabolites and Bioactive Compounds, Other Bioactive Compounds,
Quality Level   200
isotopic purity   99 atom % D
assay   98% (CP)
mp   234-236.5 °C (lit.)
mass shift   M+9
SMILES string   O=C(N(C([2H])([2H])[2H])C1=O)N(C2=C1N(C([2H])([2H])[2H])C=N2)C([2H])([2H])[2H]
InChI   1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1D3,2D3,3D3
InChI key   RYYVLZVUVIJVGH-GQALSZNTSA-N

Description

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Safety & Documentation

Safety Information

RIDADR 
NONH for all modes of transport

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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