4-(Ethylamino)-2-Butyn-1-Yl (2R)-Cyclohexyl(Hydroxy)Phenylacetate

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Properties Simple | Detailed

Formula C20H27NO3
IUPAC Name 4-(ethylamino)but-2-ynyl (2r)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate
Molecular Mass 329.433 g·mol−1
Heat of Formation -317.1 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 425.03 Å 3
Surface Area 373.45 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 4-ethylaminobut-2-ynyl ester
  • (2r)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid 4-ethylaminobut-2-ynyl ester
  • 4-ethylaminobut-2-ynyl (2r)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate
  • 4-ethylaminobut-2-ynyl (2r)-2-cyclohexyl-2-hydroxy-2-phenyl-ethanoate
  • 4-ethylaminobut-2-ynyl (2r)-2-cyclohexyl-2-hydroxy-2-phenylacetate
InChIKey SNIBJKHIKIIGPR-FQEVSTJZSA-N
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