2-{[(2-Nitro-1H-Imidazol-1-Yl)Acetyl]Amino}Ethyl Acetate

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Properties Simple | Detailed

Formula C9H12N4O5
IUPAC Name 2-[[2-(2-nitroimidazol-1-ium-2-ylium-1-yl)acetyl]amino]ethyl acetate
Molecular Mass 256.215 g·mol−1
Heat of Formation -418.8 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 290.29 Å 3
Surface Area 250.39 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-1-acetamide, n-(2-(acetyloxy)ethyl)-2-nitro-
  • 2-[2-(2-nitroimidazol-1-yl)ethanoylamino]ethyl ethanoate
  • 2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]ethyl acetate
  • acetic acid 2-[[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]ethyl ester
  • acetic acid 2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]ethyl ester
  • n-(2-hydroxyethyl)-2-nitroimidazole-1-acetamide acetate
  • sr 2545
  • sr-2545
CAS Number(s)
  • 82184-73-4
InChIKey QDVNGNIGSNAHDS-UHFFFAOYSA-N
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