(1S)-2-(Tert-Butylamino)-1-{7-[(1R)-1-Hydroxyethyl]-1-Benzofuran-2-Yl}Ethanol

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Properties Simple | Detailed

Formula C16H23NO3
IUPAC Name (1s)-2-(tert-butylamino)-1-[7-[(1r)-1-hydroxyethyl]benzofuran-2-yl]ethanol
Molecular Mass 277.359 g·mol−1
Heat of Formation -486.5 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 357.81 Å 3
Surface Area 311.06 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol
  • (1s)-2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-2-benzofuranyl]ethanol
  • (1s)-2-(tert-butylamino)-1-[7-(1-hydroxyethyl)benzofuran-2-yl]ethanol
  • 2,7-benzofurandimethanol, 2-((tert-butylamino)methyl)-7-methyl-
  • 2-((tert-butylamino)methyl)-7-methyl-2,7-benzofurandimethanol
  • 2-tbmbfd
CAS Number(s)
  • 97805-54-4
InChIKey GTYMTYBCXVOBBB-MFKMUULPSA-N
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