Roxane

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Properties Simple | Detailed

Formula C19H28N2O4
IUPAC Name [2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate
Molecular Mass 348.437 g·mol−1
Heat of Formation -722.1 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 437.88 Å 3
Surface Area 326.8 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(acetyloxy)-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)acetamide
  • [2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
  • [2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] ethanoate
  • aceroxatidine
  • acetamide, 2-(acetyloxy)-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
  • acetic acid [2-keto-2-[3-[3-(piperidinomethyl)phenoxy]propylamino]ethyl] ester
  • acetic acid [2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] ester
  • roxatidina [spanish]
  • roxatidine acetate
  • roxatidinum [latin]
CAS Number(s)
  • 78628-28-1
InChIKey SMTZFNFIKUPEJC-UHFFFAOYSA-N
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