Merck
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705357

Sigma-Aldrich

3,7-Dimethylxanthine-(dimethyl-d6)

98 atom % D, 98% (CP)

Synonym(s):
2,6-Dihydroxy-3,7-dimethylpurine-(dimethyl-d6), 3,7-Dimethyl-1H-purine-2,6-dione-(dimethyl-d6), Theobromine-(dimethyl-d6)
Empirical Formula (Hill Notation):
C7D6H2N4O2
CAS Number:
Molecular Weight:
186.20
MDL number:
PubChem Substance ID:
NACRES:
NA.24

isotopic purity

98 atom % D

Quality Level

assay

98% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

345 °C

mass shift

M+6

storage temp.

−20°C

SMILES string

[2H]C([2H])([2H])N1C(=O)NC(=O)c2c1ncn2C([2H])([2H])[2H]

InChI

1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)/i1D3,2D3

InChI key

YAPQBXQYLJRXSA-WFGJKAKNSA-N

Related Categories

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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

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Certificate of Origin

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