(3As,5As,7S,8Br)-8-Butyl-7-Methyl-1,3A,4,5,5A,6,7,8B-Octahydrocyclopenta[De]Quinazolin-2-Amine

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Formula C15H25N3
IUPAC Name (3as,5as,7s,8br)-8-butyl-7-methyl-1,3a,4,5,5a,6,7,8b-octahydrocyclopenta[de]quinazolin-2-amine
Molecular Mass 247.379 g·mol−1
Heat of Formation -53.7 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 325.86 Å 3
Surface Area 272.35 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • cyclopenta(de)quinazolin-2-amine, 8-butyl-1,3a,4,5,5a,6,7,8b-octahydro-7-methyl-, (3as-(3aalpha,5aalpha,7alpha,8balpha))-
  • isoptilocauline
  • ptilocaulin
CAS Number(s)
  • 78777-02-3
InChIKey MGZKFJKGMKJURC-XRRVDJEJSA-N
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Elements H C N