(2S)-1-Fluoro-3-(1H-Imidazol-5-Yl)-2-Propanamine

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Properties Simple | Detailed

Formula C6H11FN3
IUPAC Name (2s)-1-fluoro-3-(1h-imidazol-3-ium-5-id-5-yl)propan-2-amine
Molecular Mass 144.170 g·mol−1
Heat of Formation -75.7 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 177.42 Å 3
Surface Area 177.24 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-fluoro-3-(3h-imidazol-4-yl)propan-2-amine
  • 1h-imidazole-4-ethanamine, alpha-(fluoromethyl)-, (s)-
  • [(1s)-1-(fluoromethyl)-2-(3h-imidazol-4-yl)ethyl]amine
  • alpha-fluoromethylhistamine
CAS Number(s)
  • 69672-40-8
InChIKey HQJBDGCXJPRBDP-YFKPBYRVSA-N
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DOI
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Elements H C F N