Cafaminol

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Properties Simple | Detailed

Formula C11H21N5O3
IUPAC Name 8-[2-hydroxyethyl(methyl)amino]-1,3,7-trimethyl-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 271.316 g·mol−1
Heat of Formation -368.2 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 307.55 Å 3
Surface Area 273.13 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7-dihydro-8-((2-hydroxyethyl)methylamino)-1,3,7-trimethyl-1h-purine-2,6-dione
  • 8-((2-hydroxyethyl)methylamino)caffeine
  • 8-(2-hydroxyethyl-methyl-amino)-1,3,7-trimethyl-purine-2,6-dione
  • 8-(2-hydroxyethyl-methyl-amino)-1,3,7-trimethyl-xanthine
  • 8-(2-hydroxyethyl-methylamino)-1,3,7-trimethylpurine-2,6-dione
  • 8-(beta-oxyethyl)methylaminocaffeine
  • beta-(caffeino-(8))-beta-methylaminoethanol
  • caffeine, 8-((2-hydroxyethyl)methylamino)-
  • methylcoffanolamine
  • rhinetten
  • rhinoptil
CAS Number(s)
  • 30924-31-3
InChIKey ZGNRRVAPHPANFI-UHFFFAOYSA-N
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