17β-Amino-4-Aza-5Alpha-Androstane

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Properties Simple | Detailed

Formula C18H32N2
IUPAC Name (1s,3as,3bs,5ar,9ar,9bs,11as)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1h-indeno[5,4-f]quinolin-1-amine
Molecular Mass 276.460 g·mol−1
Heat of Formation -180.8 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 374.15 Å 3
Surface Area 296.12 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,3bs,5ar,9ar,9bs,11as)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1h-indeno[5,4-f]quinolin-1-amine
  • 17-amino-4-azaandrostane
  • 4-azaandrostan-17-amine, (5alpha,17beta)-
  • [(1s,3as,3bs,5ar,9ar,9bs,11as)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1h-indeno[5,4-f]quinolin-1-yl]amine
InChIKey MMXIDJBKJXKVCE-KTSXYBPLSA-N
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