(-)-Ecgonine Methyl Ester

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Properties Simple | Detailed

Formula C10H17NO3
IUPAC Name methyl (1s,3s,4r,5r,8s)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 199.247 g·mol−1
Heat of Formation -585.5 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 244.23 Å 3
Surface Area 215.92 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,5s)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 1alphah,5alphah-tropane-2beta-carboxylic acid, 3beta-hydroxy-, methyl ester (8ci)
  • 3-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, (1r,2r,3s,5s)-
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, (1r-(exo,exo))-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, (1r,2r,3s,5s)-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, methyl ester, [1r-(exo,exo)]-
  • ecg
  • ecgonine, methyl ester (6ci,7ci)
  • methyl (1r,2r,3s,5s)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • methyl ecgonine
  • methylecgonine
InChIKey QIQNNBXHAYSQRY-UYXSQOIJSA-N
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