Estra-1,3,5,7,9-Pentaen-17-One, 3-Amino-

Molecule SVG Image

Properties Simple | Detailed

Formula C18H19NO
IUPAC Name (13s,14s)-3-amino-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthren-17-one
Molecular Mass 265.350 g·mol−1
Heat of Formation -68.2 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 327.84 Å 3
Surface Area 283.05 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (13s,14s)-3-amino-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthren-17-one
  • 3-aminodesoxyequilenin
  • d-3-aminodesoxyequilenin
CAS Number(s)
  • 41761-49-3
InChIKey XORFPBHYHGEHFP-WMZOPIPTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N