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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)
application(s)   mass spectrometry (MS): suitable
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

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
NONH for all modes of transport
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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