725625
Caffeine-(trimethyl-d9)
99 atom % D, 98% (CP)
Synonym(s):
1,3,7-Trimethyl-d9-xanthine
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About This Item
Empirical Formula (Hill Notation):
C8D9HN4O2
Molecular Weight:
203.25
MDL number:
UNSPSC Code:
12352114
PubChem Substance ID:
NACRES:
NA.12
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isotopic purity
99 atom % D
Quality Level
Assay
98% (CP)
form
powder
technique(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
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class Code
11 - Combustible Solids
WGK
WGK 1
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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