3-(1-Azepanyl)-1-(4-Propoxyphenyl)-1-Propanone

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Properties Simple | Detailed

Formula C18H27NO2
IUPAC Name 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one
Molecular Mass 289.412 g·mol−1
Heat of Formation -325.7 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 378.85 Å 3
Surface Area 349.63 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 1-propanone, 3-(hexahydro-1h-azepin-1-yl)-1-(4-propoxyphenyl)-
  • 3-(1-azepanyl)-1-(4-propoxyphenyl)propan-1-one
  • hexacaine
  • n-hexamethyleneimino-p-propoxypropiophenone
  • oprea1_644620
  • propiophenone, 3-(hexahydro-1h-azepin-1-yl)-4'-propoxy-
  • tg-16
CAS Number(s)
  • 16689-12-6
InChIKey XJLSIHLNCRSPKR-UHFFFAOYSA-N
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