N-(3-Nitro-2-Pyridinyl)-β-Alanine

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Properties Simple | Detailed

Formula C8H9N3O4
IUPAC Name 3-[(3-nitro-2-pyridyl)amino]propanoic acid
Molecular Mass 211.175 g·mol−1
Heat of Formation -313.7 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 228.37 Å 3
Surface Area 221.32 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 1.78 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3-nitro-2-pyridyl)amino]propionic acid
  • 4x-0883
InChIKey BKZGYOUKDXPUDM-UHFFFAOYSA-N
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