(2R,6R,7S,8S)-7-Butyl-2-Pentyl-1-Azaspiro[5.5]Undecan-8-Ol

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Properties Simple | Detailed

Formula C19H37NO
IUPAC Name (2r,6r,10s,11s)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol
Molecular Mass 295.503 g·mol−1
Heat of Formation -496.9 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 420.94 Å 3
Surface Area 358.98 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,6r,7s,8s)-2-amyl-7-butyl-1-azaspiro[5.5]undecan-8-ol
  • 1-azaspiro(5.5)undecan-8-ol, 7-butyl-2-pentyl-, (2r,6r,7s,8s)-
  • 1-azaspiro(5.5)undecan-8-ol, 7-butyl-2-pentyl-, (6r-(6alpha(r*),7beta,8alpha))-
  • perhydrohistrionicotoxin
CAS Number(s)
  • 40709-29-3
InChIKey BTKHRQIWTGOESJ-AKHDSKFASA-N
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