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3,7-Dimethylxanthine-(dimethyl-d6)

ALDRICH/705357 - 98 atom % D, 98% (CP)

Synonym: 2,6-Dihydroxy-3,7-dimethylpurine-(dimethyl-d6); 3,7-Dimethyl-1H-purine-2,6-dione-(dimethyl-d6); Theobromine-(dimethyl-d6)

CAS Number: 117490-40-1
Empirical Formula (Hill Notation): C7D6H2N4O2
Molecular Weight: 186.20
MDL Number: MFCD09952291
Linear Formula: C7D6H2N4O2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-705357-2MG 2 mg
 $384.00
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assay 98% (CP)
form powder
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
isotopic purity 98 atom % D
mass shift M+6
mp 345 °C
Quality Level 200 
SMILES string [2H]C([2H])([2H])N1C(=O)NC(=O)c2c1ncn2C([2H])([2H])[2H]
storage temp. −20°C
technique(s) mass spectrometry (MS): suitable
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 .
Symbol GHS07  GHS07
Signal word Warning
Hazard statements H302
Hazard Codes Xn
Risk Statements 22
RIDADR NONH for all modes of transport
WGK Germany WGK 1
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity 98% (CP)
mp 345 °C
Storage Temp. −20°C
UNSPSC 12352005

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