(2R)-1-(Diethylamino)-2-Propanyl (1R,2R)-1-Hydroxy-1,1'-Bi(Cyclohexyl)-2-Carboxylate

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Properties Simple | Detailed

Formula C20H37NO3
IUPAC Name [(1r)-2-(diethylamino)-1-methyl-ethyl] (1r,2r)-2-cyclohexyl-2-hydroxy-cyclohexanecarboxylate
Molecular Mass 339.513 g·mol−1
Heat of Formation -824.1 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 458.48 Å 3
Surface Area 349.22 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r)-2-cyclohexyl-2-hydroxy-1-cyclohexanecarboxylic acid [(1r)-2-diethylamino-1-methylethyl] ester
  • (1r,2r)-2-cyclohexyl-2-hydroxy-cyclohexane-1-carboxylic acid [(1r)-2-diethylamino-1-methyl-ethyl] ester
  • [(1r)-2-diethylamino-1-methyl-ethyl] (1r,2r)-2-cyclohexyl-2-hydroxy-cyclohexane-1-carboxylate
  • [(2r)-1-diethylaminopropan-2-yl] (1r,2r)-2-cyclohexyl-2-hydroxy-cyclohexane-1-carboxylate
  • [(2r)-1-diethylaminopropan-2-yl] (1r,2r)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate
InChIKey XPYLKZZOBVLVHB-IMFGXOCKSA-N
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