(R)-4-[1-Hydroxy-2-[[4-(4-Hydroxyphenyl)Butyl]Amino]Ethyl]-1,2-Benzenediol

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Properties Simple | Detailed

Formula C18H23NO4
IUPAC Name 4-[(1r)-1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol
Molecular Mass 317.380 g·mol−1
Heat of Formation -615.1 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 393.79 Å 3
Surface Area 368.26 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r)-1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]benzene-1,2-diol
  • 4-[(1r)-1-hydroxy-2-[4-(4-hydroxyphenyl)butylamino]ethyl]pyrocatechol
  • arbutamine
CAS Number(s)
  • 128470-16-6
InChIKey IIRWWTKISYTTBL-SFHVURJKSA-N
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