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Home >> Chemical Listing >> Page 783 >> 7-Methyl-1-(2H3)Methyl-3,7-Dihydro-1H-Purine-2,6-Dione

7-Methyl-1-(2H3)Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
[CAS# 188297-90-7]

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Identification
Name 7-Methyl-1-(2H3)Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
Synonyms Paraxanthine-1-methyl-d3
Molecular Structure CAS#: 188297-90-7, 7-Methyl-1-(<Sup>2</Sup>H<Sub>3</Sub>)Methyl-3,7-Dihydro-1H-Purine-2,6-Dione
Molecular Formula C7H5D3N4O2
Molecular Weight 183.18
CAS Registry Number 188297-90-7
SMILES [2H]C([2H])([2H])n1c(=O)c2c([nH]c1=O)ncn2C
InChI 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i2D3
InChIKey QUNWUDVFRNGTCO-BMSJAHLVSA-N
Properties
Density 1.635g/cm3 (Cal.)
Refractive index 1.737 (Cal.)
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