705357
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
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
SMILES string
[2H]C([2H])([2H])N1C(=O)NC(=O)c2c1ncn2C([2H])([2H])[2H]
InChI key
YAPQBXQYLJRXSA-WFGJKAKNSA-N
isotopic purity
98 atom % D
assay
98% (CP)
form
powder
technique(s)
mass spectrometry (MS): suitable
mp
345 °C
mass shift
M+6
storage temp.
−20°C
Quality Level
Related Categories
Packaging
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
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