10-{3-[4-(2-Hydroxyethyl)-1-Piperazinyl]Propyl}-2-Nitro-9(10H)-Acridinone

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Properties Simple | Detailed

Formula C22H26N4O4
IUPAC Name 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-7-nitro-2,3,4,5,6,8-hexahydro-1h-acridine-1,2,3,4,4a,5,6,7,8,8a,9a,10a-dodecaid-9-one
Molecular Mass 410.466 g·mol−1
Heat of Formation -122.2 ± 16.7 kJ·mol−1
Dipole Moment 9.79 ± 1.08 D
Volume 484.09 Å 3
Surface Area 421.45 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-nitro-9-acridanone
  • 10-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-2-nitro-9-acridinone
  • 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-nitro-acridin-9-one
  • 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-nitroacridin-9-one
  • 4-(3-(2-nitro-9-(10h)acridinon-10-yl)propyl)-1-piperazineethanol
  • 9(10h)-acridinone, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-nitro-
CAS Number(s)
  • 107088-82-4
InChIKey YXFPGAXZWSKMLW-UHFFFAOYSA-N
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