N,N-Dimethyl-3-[(1-Nitro-9-Acridinyl)(Oxido)-Lambda~5~-Azanyl]-1-Propanamine

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Properties Simple | Detailed

Formula C18H21N4O3+
IUPAC Name n-[3-(dimethylamino)propyl]-1-nitro-acridin-9-amine oxide
Molecular Mass 341.384 g·mol−1
Heat of Formation 331.1 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 397.09 Å 3
Surface Area 344.43 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -2.17 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanediamine, n,n-dimethyl-n'-(1-nitro-9-acridinyl)-, n-oxide
  • acridine, 9-((3-(dimethylamino)propyl)amino)-1-nitro-, n-oxide
  • c 684
  • n,n-dimethyl-n'-(1-nitro-9-acridinyl)-1,3-propanediamine n-oxide
  • n-(3-dimethylaminopropyl)-1-nitro-9-acridinamine oxide
  • n-(3-dimethylaminopropyl)-1-nitro-acridin-9-amine oxide
  • n-(3-dimethylaminopropyl)-1-nitroacridin-9-amine oxide
  • nitracrine n-oxide
  • sn 24030
InChIKey SFLRYQNKXUDXBN-UHFFFAOYSA-N
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