3-(1-Aminoethyl)-3-Hydroxyestra-1(10),4-Dien-17-One
[CAS# 142062-08-6]

Identification

• Name: 3-(1-Aminoethyl)-3-Hydroxyestra-1(10),4-Dien-17-One
• Synonyms: 3-aminoethylestrone
• Molecular Formula: C₂₀H₂₉NO₂
• Molecular Weight: 315.45
• CAS Registry Number: 142062-08-6
• SMILES: CC(N)C/4(O)C\C=C3C(\CC[C@@H]2[C@@H]3CC[C@]1(C)C(=O)CC[C@H]12)=C\4
• InChI: 1S/C20H29NO2/c1-12(21)20(23)10-8-14-13(11-20)3-4-16-15(14)7-9-19(2)17(16)5-6-18(19)22/h8,11-12,15-17,23H,3-7,9-10,21H2,1-2H3/t12?,15-,16-,17+,19+,20?/m1/s1
• InChIKey: FYVFWMUGDLMTAL-LUMQLTMNSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 504.747°C at 760 mmHg (Cal.)
• Flash point: 259.062°C (Cal.)
• Refractive index: 1.589 (Cal.)