2-{[6-(Benzylamino)-9-Methyl-9H-Purin-2-Yl]Amino}Ethanol

Molecule SVG Image

Properties Simple | Detailed

Formula C15H18N6O
IUPAC Name 2-[[6-(benzylamino)-9-methyl-purine-1,3,7-triium-2-yl]amino]ethanol
Molecular Mass 298.343 g·mol−1
Heat of Formation 167.0 ± 16.7 kJ·mol−1
Dipole Moment 0.96 ± 1.08 D
Volume 359.43 Å 3
Surface Area 327.26 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
  • 2-(2-hydroxyethylamino)-6-benzylamino-9-methylpurine
  • 2-(hydroxyethylamino)-6-benzylamino-9-methylpurine
  • 2-[[6-(benzylamino)-9-methyl-purin-2-yl]amino]ethanol
  • 2-[[9-methyl-6-(phenylmethylamino)-2-purinyl]amino]ethanol
  • 2-[[9-methyl-6-(phenylmethylamino)purin-2-yl]amino]ethanol
  • 6-(benzylamino)-2-(2-hydroxyethylamino)-9-methylpurine
  • bcbcmap01_000205
  • bio1_000336
  • bio1_000825
  • bio1_001314
  • bio2_000335
  • bio2_000815
  • biomolki2_000052
  • biomolki_000046
  • cbiol_002050
  • ethanol, 2-[[9-methyl-6-[(phenylmethyl)amino]-9h-purin-2-yl]amino]-
  • insolution™ olomoucine
  • olo
  • olomoucine
  • smp1_000281
  • tocris-1284
CAS Number(s)
  • 101622-51-9
InChIKey GTVPOLSIJWJJNY-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N