(17β)-17-(Butylamino)Estra-1,3,5(10)-Trien-3-Ol

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Properties Simple | Detailed

Formula C22H33NO
IUPAC Name (8r,9s,13s,14s,17s)-17-(butylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 327.504 g·mol−1
Heat of Formation -290.9 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 432.92 Å 3
Surface Area 365.98 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-17-butylamino-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
  • buame
  • n-(3-hydroxy-1,3,5(10)-estratrien-17beta-yl)butylamine
CAS Number(s)
  • 137539-90-3
InChIKey FSASUYCRSCVLGC-AANPDWTMSA-N
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