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3-Aminoestra-1,3,5(10)-Trien-17-One
[CAS# 18119-98-7]

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Identification
Name 3-Aminoestra-1,3,5(10)-Trien-17-One
Synonyms (8R,9S,13S,14S)-3-Amino-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one; 3-Aminoestra-1,3,5(10)-trien-17-one
Molecular Structure CAS#: 18119-98-7, 3-Aminoestra-1,3,5(10)-Trien-17-One
Molecular Formula C18H23NO
Molecular Weight 269.38
CAS Registry Number 18119-98-7
SMILES O=C4[C@]3(CC[C@@H]2c1ccc(N)cc1CC[C@H]2[C@@H]3CC4)C
InChI 1S/C18H23NO/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9,19H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey UNBVZLXCQDVEGX-CBZIJGRNSA-N
Properties
Density 1.141g/cm3 (Cal.)
Boiling point 447.997°C at 760 mmHg (Cal.)
Flash point 224.741°C (Cal.)
Refractive index 1.596 (Cal.)
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