4-[(2R,3S)-3-(3,5-Dioxo-1-Piperazinyl)-2-Butanyl]-2,6-Piperazinedione

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Properties Simple | Detailed

Formula C12H18N4O4
IUPAC Name 4-[(1s,2r)-2-(3,5-dioxopiperazin-1-yl)-1-methyl-propyl]piperazine-2,6-dione
Molecular Mass 282.296 g·mol−1
Heat of Formation -693.8 ± 16.7 kJ·mol−1
Dipole Moment 0.12 ± 1.08 D
Volume 328.77 Å 3
Surface Area 285.45 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry Ci
Synonyms
  • 2,6-piperazinedione, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis-, (r*,s*)-
  • 2,6-piperazinedione, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis-, rel-
  • 2,6-piperazinedione, 4,4'-(1,2-dimethylethylene)di-, meso-
  • 4-[(1s,2r)-2-(3,5-diketopiperazin-1-yl)-1-methyl-propyl]piperazine-2,6-quinone
  • 4-[(1s,2r)-2-(3,5-dioxo-1-piperazinyl)-1-methylpropyl]piperazine-2,6-dione
  • 4-[(1s,2r)-2-(3,5-dioxopiperazin-1-yl)-1-methyl-propyl]piperazine-2,6-dione
  • bio2_000404
  • bio2_000884
  • icrf-193
  • meso-4,4'-(3,2-butanediyl)-bis(2,6-piperazinedione)
CAS Number(s)
  • 21416-88-6
InChIKey OBYGAPWKTPDTAS-OCAPTIKFSA-N
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