(2S,4As,5R,8Ar)-5-Methyl-2-Propyldecahydroquinoline

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Properties Simple | Detailed

Formula C13H25N
IUPAC Name (2s,4as,5r,8ar)-5-methyl-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
Molecular Mass 195.344 g·mol−1
Heat of Formation -176.5 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 282.88 Å 3
Surface Area 245.78 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 6.34 ± eV
Point Group Symmetry C1
Synonyms
  • 5-methyl-2-propyldecahydroquinoline
  • decahydro-5-methyl-2-propylquinoline
  • pumiliotoxin c
  • quinoline, decahydro-5-methyl-2-propyl-, (2s,4as,5r,8ar)-
  • quinoline, decahydro-5-methyl-2-propyl-, (2s-(2alpha,4abeta,5beta,8abeta))-
CAS Number(s)
  • 27766-71-8
InChIKey PSGDYNNBBROEEW-MROQNXINSA-N
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Elements H C N