9-{3-[4-(3-Chlorophenyl)-1-Piperazinyl]Propyl}-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C18H22ClN7
IUPAC Name 9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]purin-9-ium-6-amine
Molecular Mass 371.867 g·mol−1
Heat of Formation 350.8 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 432.56 Å 3
Surface Area 377.48 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 7-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)adenine
  • 9-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-9h-purin-6-amine
  • 9-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-6-purinamine
  • 9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]purin-6-amine
  • 9h-purin-6-amine, 9-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-
  • [9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]purin-6-yl]amine
  • bm 06,001
  • bm 06001
  • bm-06001
  • ww 345
CAS Number(s)
  • 52536-31-9
InChIKey BYSZERQSUKGGII-UHFFFAOYSA-N
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Elements H C N Cl