1-(4-Methyl-3-Nitrobenzoyl)Piperazine

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Properties Simple | Detailed

Formula C12H15N3O3
IUPAC Name (4-methyl-3-nitro-phenyl)-piperazin-1-yl-methanone
Molecular Mass 249.266 g·mol−1
Heat of Formation -99.2 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 291.15 Å 3
Surface Area 259.51 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • (4-methyl-3-nitrophenyl)-(1-piperazinyl)methanone
  • (4-methyl-3-nitrophenyl)-piperazin-1-ylmethanone
  • (4-toluoyl-3-nitro)piperazine
  • (p-toluyl-m-nitro)piperazine
  • bbv-005850
  • p-tnp
  • piperazine, 1-(4-methyl-3-nitrobenzoyl)-
CAS Number(s)
  • 80045-69-8
InChIKey KRXLHSGWNOLBTF-UHFFFAOYSA-N
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