4-[(1R)-1-Hydroxy-2-{[(2R)-4-(4-Hydroxyphenyl)-2-Butanyl]Amino}Ethyl]Phenol

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Properties Simple | Detailed

Formula C18H23NO3
IUPAC Name 4-[(3r)-3-[[(2r)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
Molecular Mass 301.380 g·mol−1
Heat of Formation -465.1 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 384.84 Å 3
Surface Area 311.73 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-p-hydroxy-alpha-((((r)-3-(p-hydroxyphenyl)-1-methylpropyl)amino)methyl)benzyl alcohol
  • 4-[(3r)-3-[[(2r)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
  • benzenemethanol, 4-hydroxy-alpha-(((3-(4-hydroxyphenyl)-1-methylpropyl)amino)methyl)-, (r-(r*,r*))
  • butopamine
  • butopamine (usan)
  • d03195
  • ly 131126
CAS Number(s)
  • 66734-12-1
InChIKey YJQZYXCXBBCEAQ-ACJLOTCBSA-N
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