(17beta)-17-[(3-Aminopropyl)amino]estra-1,3,5(10)-trien-3-ol
[CAS# 87189-13-7]

Identification

• Name: (17beta)-17-[(3-Aminopropyl)amino]estra-1,3,5(10)-trien-3-ol
• Synonyms: N-(3-Hydroxyestra-1,3,5(10)-triene-1,3-17β)-1,3-propylenediamine; Prodiame
• Molecular Formula: C₂₁H₃₂N₂O
• Molecular Weight: 328.49
• CAS Registry Number: 87189-13-7
• SMILES: Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](NCCCN)CC[C@H]4[C@@H]2CC3)C
• InChI: 1S/C21H32N2O/c1-21-10-9-17-16-6-4-15(24)13-14(16)3-5-18(17)19(21)7-8-20(21)23-12-2-11-22/h4,6,13,17-20,23-24H,2-3,5,7-12,22H2,1H3/t17-,18-,19+,20+,21+/m1/s1
• InChIKey: ZIKAQUBYTJAACW-MJCUULBUSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 506.923°C at 760 mmHg (Cal.)
• Flash point: 260.378°C (Cal.)