Ethyl (1R,2S)-2-(Methylamino)-1-Phenyl-3-Cyclohexene-1-Carboxylate

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Properties Simple | Detailed

Formula C16H21NO2
IUPAC Name ethyl (1r,2s)-2-(methylamino)-1-phenyl-cyclohex-3-ene-1-carboxylate
Molecular Mass 259.343 g·mol−1
Heat of Formation -245.1 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 333.41 Å 3
Surface Area 282.35 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s)-2-methylamino-1-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester
  • (1r,2s)-2-methylamino-1-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester
  • 3-cyclohexene-1-carboxylic acid, 2-(methylamino)-1-phenyl-, ethyl ester, trans-(+-)-
  • ethyl (1r,2s)-2-methylamino-1-phenyl-cyclohex-3-ene-1-carboxylate
  • ethyl (1r,2s)-2-methylamino-1-phenylcyclohex-3-ene-1-carboxylate
  • nortilidine
CAS Number(s)
  • 38677-94-0
InChIKey PDJZPNKVLDWEKI-GOEBONIOSA-N
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