1202865-49-3

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1202865-49-3 Structure

Identification	Back Directory
[Name] 1-Methylxanthine-13C,D3
[CAS] 1202865-49-3
[Synonyms] 1-Methylxanthine-13C,D3 1-(Methyl-!3C,d3)xanthine 1-METHYLXANTHINE (CHEMICAL PURITY 97%) (1-METHYL,6-13C2, 99% 1-Methylxanthine-(methyl-13C,d3) 98 atom % 13C, 98 atom % D, 97% (CP)
[Molecular Formula] C6H6N4O2
[MDL Number] MFCD11656100
[MOL File] 1202865-49-3.mol
[Molecular Weight] 170.15

Chemical Properties	Back Directory
[Melting point ] ≥300°C
[density ] 1.540±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ] -20°C
[form ] powder
[InChI] 1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i1+1D3
[InChIKey] MVOYJPOZRLFTCP-KQORAOOSSA-N
[SMILES] [2H][13C]([2H])([2H])N1C(=O)Nc2nc[nH]c2C1=O

Safety Data	Back Directory
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids

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