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8-Methoxymethyl-3-Isobutyl-1-Methylxanthine
[CAS# 78033-08-6]

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Identification
Name 8-Methoxymethyl-3-Isobutyl-1-Methylxanthine
Synonyms 3-Isobutyl-8-(Methoxymethyl)-1-Methyl-7H-Purine-2,6-Dione; 3-Isobutyl-8-(Methoxymethyl)-1-Methyl-7H-Purine-2,6-Quinone; Ncgc00024647-05
Molecular Structure CAS#: 78033-08-6, 8-Methoxymethyl-3-Isobutyl-1-Methylxanthine
Molecular Formula C12H18N4O3
Molecular Weight 266.30
CAS Registry Number 78033-08-6
SMILES C(N2C1=C([NH]C(=N1)COC)C(N(C)C2=O)=O)C(C)C
InChI 1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)
InChIKey NBLBCGUCPBXKOV-UHFFFAOYSA-N
Properties
Density 1.25g/cm3 (Cal.)
Boiling point 476.44°C at 760 mmHg (Cal.)
Flash point 241.942°C (Cal.)
solubility Soluble to 100 mM in ethanol
Market Analysis Reports
List of Reports Available for 8-Methoxymethyl-3-Isobutyl-1-Methylxanthine
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