5-(Aminomethyl)-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C4H7N3O
IUPAC Name 5-(aminomethyl)pyrazole-1,2-diium-3-one
Molecular Mass 113.118 g·mol−1
Heat of Formation 16.5 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 132.39 Å 3
Surface Area 143.91 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-pyrazol-3-one, 5-(aminomethyl)-1,2-dihydro-
  • 5-(aminomethyl)-1,2-dihydropyrazol-3-one
  • 5-aminomethylpyrazolin-5-one
  • azamuscimol
CAS Number(s)
  • 26384-25-8
  • 33512-95-7
InChIKey MKSFCAQPDWJPND-UHFFFAOYSA-N
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