(1S,2S)-2-[(Dimethylamino)Methyl]Cyclohexyl Benzoate

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Properties Simple | Detailed

Formula C16H23NO2
IUPAC Name [(1s,2s)-2-[(dimethylamino)methyl]cyclohexyl] benzoate
Molecular Mass 261.359 g·mol−1
Heat of Formation -338.4 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 342.17 Å 3
Surface Area 300.07 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (1s-cis)-2-((dimethylamino)methyl)cyclohexanol benzoate (ester)
  • 2-dimethylaminomethylcyclohexyl benzoate
  • [(1s,2s)-2-(dimethylaminomethyl)cyclohexyl] benzoate
  • benzoic acid [(1s,2s)-2-(dimethylaminomethyl)cyclohexyl] ester
  • cyclohexanol, 2-((dimethylamino)methyl)-, benzoate (ester), (1s-cis)-
  • damc-benzoate
CAS Number(s)
  • 117307-29-6
InChIKey OYIQBJVQPZHJHK-GJZGRUSLSA-N
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