(2S)-2-Amino-4-(Nitroamino)Butanoic Acid

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Properties Simple | Detailed

Formula C4H9N3O4
IUPAC Name (2s)-2-amino-4-nitramido-butanoic acid
Molecular Mass 163.132 g·mol−1
Heat of Formation -401.3 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 182.49 Å 3
Surface Area 187.24 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-nitramido-butanoic acid
  • (2s)-2-amino-4-nitramido-butyric acid
  • (2s)-2-amino-4-nitramidobutanoic acid
  • a-n-gaba
  • alpha-amino-gamma-nitraminobutyrate
CAS Number(s)
  • 74257-27-5
InChIKey ZDBGMQCCHXQCND-VKHMYHEASA-N
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