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

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Properties Simple | Detailed

Formula C15H19NO2
IUPAC Name ethyl (1r,2s)-2-amino-1-phenyl-cyclohex-3-ene-1-carboxylate
Molecular Mass 245.317 g·mol−1
Heat of Formation -240.9 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 311.38 Å 3
Surface Area 266.2 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s)-2-amino-1-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester
  • (1r,2s)-2-amino-1-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester
  • 3-cyclohexene-1-carboxylic acid, 2-amino-1-phenyl-, ethyl ester, trans-(+-)-
  • bisnortilidine
  • ethyl (1r,2s)-2-amino-1-phenylcyclohex-3-ene-1-carboxylate
CAS Number(s)
  • 53948-51-9
InChIKey BTKAMSWFNMGLGM-DZGCQCFKSA-N
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