(2R,3S)-3-(1H-Imidazol-5-Yl)-2-Butanamine

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Properties Simple | Detailed

Formula C7H13N3
IUPAC Name (2r,3r)-3-imidazol-3-ium-4-ylium-4-ylbutan-2-amine
Molecular Mass 139.198 g·mol−1
Heat of Formation 61.3 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 190.65 Å 3
Surface Area 182.27 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 3.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-3-(3h-imidazol-4-yl)butan-2-amine
  • [(1r,2s)-2-(3h-imidazol-4-yl)-1-methyl-propyl]amine
InChIKey QQTWSOMOTYJIQP-NTSWFWBYSA-N
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Elements H C N