4-[(2S)-3-{[2-(3,4-Dimethoxyphenyl)Ethyl]Amino}-2-Hydroxypropoxy]Phenol

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Properties Simple | Detailed

Formula C19H25NO5
IUPAC Name 4-[(2s)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]phenol
Molecular Mass 347.406 g·mol−1
Heat of Formation -695.5 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 430.7 Å 3
Surface Area 327.25 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(((3,4-dimethoxyphenyl)ethyl)amino)-3-(4-hydroxyphenoxy)-2-propanol
  • 1-dpeep
  • 4-[(2s)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]phenol
  • 4-[(2s)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenol
  • phenol, 4-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, (s)-
CAS Number(s)
  • 87112-65-0
InChIKey XYOSMQAGAGSRNT-INIZCTEOSA-N
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