(17β)-17-[(3-Aminopropyl)Amino]Estra-1,3,5(10)-Trien-3-Ol

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Formula C21H32N2O
IUPAC Name (8r,9s,13s,14s,17s)-17-(3-aminopropylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 328.492 g·mol−1
Heat of Formation -219.8 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 429.26 Å 3
Surface Area 365.47 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-17-(3-aminopropylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
  • estra-1,3,5(10)-trien-3-ol, 17-((3-aminopropyl)amino)-, (17beta)-
  • n-(3-hydroxyestra-1,3,5(10)-triene-1,3-17beta)-1,3-propylenediamine
  • prodiame
CAS Number(s)
  • 87189-13-7
InChIKey ZIKAQUBYTJAACW-MJCUULBUSA-N
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