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Home >> Chemical Listing >> Page 190 >> 3,7-Bis[(2H3)Methyl]-3,7-Dihydro-1H-Purine-2,6-Dione

3,7-Bis[(2H3)Methyl]-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 117490-40-1]

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Identification
Name 3,7-Bis[(2H3)Methyl]-3,7-Dihydro-1H-Purine-2,6-Dione
Synonyms 3,7-Dimethylxanthine-[2H6] (Theobromine); Theobromine-d6
Molecular Structure CAS#: 117490-40-1, 3,7-Bis[(<Sup>2</Sup>H<Sub>3</Sub>)Methyl]-3,7-Dihydro-1H-Purine-2,6-Dione
Molecular Formula C7H2D6N4O2
Molecular Weight 186.20
CAS Registry Number 117490-40-1
SMILES [2H]C([2H])([2H])n1cnc2c1c(=O)[nH]c(=O)n2C([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
InChIKey YAPQBXQYLJRXSA-WFGJKAKNSA-N
Properties
Density 1.662g/cm3 (Cal.)
Refractive index 1.737 (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 3,7-Bis[(2H3)Methyl]-3,7-Dihydro-1H-Purine-2,6-Dione
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