3-(Aminomethyl)-1,2-Oxazol-5(2H)-One

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Properties Simple | Detailed

Formula C4H6N2O2
IUPAC Name 3-(aminomethyl)isoxazol-5-one
Molecular Mass 114.103 g·mol−1
Heat of Formation -106.0 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 130.38 Å 3
Surface Area 141.37 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(aminomethyl)-2h-1,2-oxazol-5-one
  • 3-(aminomethyl)-2h-isoxazol-5-one
  • 3-aminomethylisoxaxol-5-ol
  • 5-isoxazolol, 3-(aminomethyl)-
  • isomuscimol
CAS Number(s)
  • 26384-22-5
InChIKey IYPNCOMZJBQOEZ-UHFFFAOYSA-N
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