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

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Properties Simple | Detailed

Formula C21H31NO2
IUPAC Name (8r,9s,13s,14s,17s)-17-(3-hydroxypropylamino)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Molecular Mass 329.476 g·mol−1
Heat of Formation -414.7 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 427.26 Å 3
Surface Area 361.29 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-17-(3-hydroxypropylamino)-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-hydroxypropyl)amino)-, (17beta)-
  • n-(3-hydroxy-1,3,5(10)-estratrien-17-yl)-3-hydroxypropylamine
  • prolame
CAS Number(s)
  • 99876-41-2
InChIKey FRZIQVNLLGECCX-MJCUULBUSA-N
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