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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)

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About This Item

Empirical Formula (Hill Notation):
C7D6H2N4O2
CAS Number:
Molecular Weight:
186.20
MDL number:
UNSPSC Code:
12352005
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 - Eye Irrit. 2

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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