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

Molecule SVG Image

Properties Simple | Detailed

Formula C16H21NO2
IUPAC Name ethyl (1s,2r)-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 334.12 Å 3
Surface Area 282.84 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-3r-n-monomethylamino-4c-phenyl-4t-ethoxycarbonylcyclohexene-1
  • (+)-nortilidine
  • (1s,2r)-2-methylamino-1-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester
  • (1s,2r)-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 (1s,2r)-2-methylamino-1-phenyl-cyclohex-3-ene-1-carboxylate
  • ethyl (1s,2r)-2-methylamino-1-phenylcyclohex-3-ene-1-carboxylate
  • ethyl trans-(+)-2-(methylamino)-1-phenyl-3-cyclohexene-1-carboxylate
CAS Number(s)
  • 37815-44-4
InChIKey PDJZPNKVLDWEKI-ZBFHGGJFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N