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705373

Sigma-Aldrich

1,7-Dimethylxanthine-(dimethyl-d6)

≥98 atom % D, ≥97% (CP)

Synonym(s):

1,7-Dimethyl-1H-purine-2,6-dione-(dimethyl-d6), 2,6-Dihydroxy-1,7-dimethylpurine-(dimethyl-d6), Paraxanthine-(dimethyl-d6)

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About This Item

Empirical Formula (Hill Notation):
C7D6H2N4O2
CAS Number:
117490-41-2
Molecular Weight:
186.20
MDL number:
MFCD11656180
UNSPSC Code:
12352210
PubChem Substance ID:
329762553
NACRES:
NA.24

isotopic purity

≥98 atom % D

Assay

≥97% (CP)

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

294-296 °C

mass shift

M+6

storage temp.

−20°C

SMILES string

[2H]C([2H])([2H])N1C(=O)Nc2ncn(c2C1=O)C([2H])([2H])[2H]

InChI

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

InChI key

QUNWUDVFRNGTCO-WFGJKAKNSA-N

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
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD2124
MBBD1770
MBBD1403
MBBC8862
MBBC8303

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