1-(3-(4-(2-Methoxyphenyl)-1-Piperazinyl)Propyl)-1H-Benzotriazole

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Properties Simple | Detailed

Formula C20H25N5O
IUPAC Name 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazol-1-ium-2-ide
Molecular Mass 351.445 g·mol−1
Heat of Formation 305.0 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 438.56 Å 3
Surface Area 371.32 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-(4-(2-methoxyhenyl)-1-piperazinyl)propyl)-1h-benzotriazole
  • 1-(3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl)-1h-1,2,3-benzotriazole
  • 1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]benzotriazole
  • 1h-benzotriazole, 1-(3-(4-(2-methoxyhenyl)-1-piperazinyl)propyl)-
  • 1h-benzotriazole, 1-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)-
  • 4-(3-(benzotriazol-1-yl)propyl)-1-(2-methoxyphenyl)piperazine
  • 4-[3-benzotriazol-1-yl;propyl]-1-2-methoxyphenyl;piperazine
  • bpmpp
  • mp 3022
CAS Number(s)
  • 156007-21-5
InChIKey CMDFESOYJXRUSW-UHFFFAOYSA-N
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