8-Methoxymethyl-3-Isobutyl-1-Methylxanthine

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Properties Simple | Detailed

Formula C12H18N4O3
IUPAC Name 3-isobutyl-8-(methoxymethyl)-1-methyl-7h-purine-2,6-dione
Molecular Mass 266.296 g·mol−1
Heat of Formation -428.8 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 316.61 Å 3
Surface Area 282.07 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-
  • 3,7-dihydro-8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-1h-purine-2,6-dione
  • 3-isobutyl-8-(methoxymethyl)-1-methyl-7h-purine-2,6-dione
  • 3-isobutyl-8-(methoxymethyl)-1-methyl-7h-purine-2,6-quinone
  • 8-(methoxymethyl)-1-methyl-3-(2-methylpropyl)-7h-purine-2,6-dione
  • 8-methoxy-isobutylmethylxanthine
  • 8-methoxymethyl-1-methyl-1-3-(2-methylpropyl)xanthine
  • 8-methoxymethyl-ibmx
  • bio2_000182
  • bio2_000662
  • hsci1_000291
  • tocris-0552
CAS Number(s)
  • 78033-08-6
InChIKey NBLBCGUCPBXKOV-UHFFFAOYSA-N
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