4-{[(2S)-3-(Tert-Butylamino)-2-Hydroxypropyl]Oxy}-1H-Benzimidazol-2-Ol

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Properties Simple | Detailed

Formula C14H21N3O3
IUPAC Name 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]benzimidazole-1,3-diium-2-one
Molecular Mass 279.335 g·mol−1
Heat of Formation -492.0 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 349.81 Å 3
Surface Area 291.07 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-1,3-dihydrobenzimidazol-2-one
  • tocris-1134
InChIKey UMQUQWCJKFOUGV-VIFPVBQESA-N
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