5-(4-Benzyl-1-Piperazinyl)-2-Methyl-4-Nitroaniline

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Properties Simple | Detailed

Formula C18H22N4O2
IUPAC Name 5-(4-benzylpiperazin-1-yl)-2-methyl-4-nitro-aniline
Molecular Mass 326.393 g·mol−1
Heat of Formation 187.0 ± 16.7 kJ·mol−1
Dipole Moment 7.18 ± 1.08 D
Volume 390.57 Å 3
Surface Area 342.46 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-4-nitro-5-[4-(phenylmethyl)-1-piperazinyl]aniline
  • 2-methyl-4-nitro-5-[4-(phenylmethyl)piperazin-1-yl]aniline
  • [5-[4-(benzyl)piperazin-1-yl]-2-methyl-4-nitro-phenyl]amine
InChIKey ZEFXWOMFCPRXJW-UHFFFAOYSA-N
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