2-(4-(4-(4-Chloropyrazol-1-Yl)Butyl)-1-Piperazinyl)Pyrimidine

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Properties Simple | Detailed

Formula C15H21ClN6
IUPAC Name 2-[4-[4-(4-chloropyrazol-1-ium-2-id-1-yl)butyl]piperazin-1-yl]pyrimidine
Molecular Mass 320.820 g·mol−1
Heat of Formation 334.8 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 383.68 Å 3
Surface Area 357.09 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[4-(4-chloro-1-pyrazolyl)butyl]-1-piperazinyl]pyrimidine
  • 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
  • pdsp1_000055
  • pdsp2_000055
CAS Number(s)
  • 132449-46-8
InChIKey AHCPKWJUALHOPH-UHFFFAOYSA-N
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DOI
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Elements H C N Cl