N-(Fluorocarbamoyl)-β-Alanine

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Properties Simple | Detailed

Formula C4H7FN2O3
IUPAC Name 3-(fluorocarbamoylamino)propanoic acid
Molecular Mass 150.108 g·mol−1
Heat of Formation -574.7 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 164.29 Å 3
Surface Area 171.67 Å 2
HOMO Energy -10.56 ± 0.55 eV
LUMO Energy 3.39 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(fluorocarbamoylamino)propionic acid
  • 3-[[(fluoroamino)-oxomethyl]amino]propanoic acid
  • n-((fluoroamino)carbonyl)-beta-alanine
CAS Number(s)
  • 33330-96-0
InChIKey BJCOQBFWOYEWAR-UHFFFAOYSA-N
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