2-({6-[(3-Chlorophenyl)Amino]-9-Isopropyl-9H-Purin-2-Yl}Amino)Ethanol

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Properties Simple | Detailed

Formula C16H26ClN6O+
IUPAC Name 2-[[(6z)-6-(3-chlorophenyl)imino-9-isopropyl-3,8-dihydropurine-1,2,4,5,7,8-hexaid-2-yl]amino]ethanol
Molecular Mass 353.870 g·mol−1
Heat of Formation 165.6 ± 16.7 kJ·mol−1
Dipole Moment 11.44 ± 1.08 D
Volume 404.03 Å 3
Surface Area 360.27 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
  • 2-[[6-[(3-chlorophenyl)amino]-9-isopropyl-2-purinyl]amino]ethanol
  • 2-[[6-[(3-chlorophenyl)amino]-9-isopropyl-purin-2-yl]amino]ethanol
  • 2-[[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethanol
  • compound 52
  • compound 52; 2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
  • hsci1_000070
  • k00015
  • k00222
  • ng-52
  • olp
InChIKey XZEFMZCNXDQXOZ-UHFFFAOYSA-N
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