(9-Syn)-3-Ethyl-7-Methyl-3,7-Diazabicyclo[3.3.1]Non-9-Yl 4-Chlorobenzoate

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Properties Simple | Detailed

Formula C17H23ClN2O2
IUPAC Name [(1r,5s)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate
Molecular Mass 322.830 g·mol−1
Heat of Formation -256.1 ± 16.7 kJ·mol−1
Dipole Moment 1.09 ± 1.08 D
Volume 389.27 Å 3
Surface Area 334.46 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 4-chlorobenzoic acid [(1r,5s)-7-ethyl-3-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] ester
  • [(1r,5s)-7-ethyl-3-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate
  • alpha-yutac
  • benzoic acid, 4-chloro-, 3-ethyl-7-methyl-3,7-diazabicyclo(3.3.1)non-9-yl ester,
  • bisaramil
  • syn-3-ethyl-7-methyl-3,7-diazabicyclo(3.3.1)non-9-yl p-chlorobenzoate
CAS Number(s)
  • 89194-77-4
InChIKey PMCPYLGCPSNSLS-FOLVSLTJSA-N
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Elements H C N O Cl