1-[2-(3,4-Dimethoxyphenyl)Ethylamino]-3-(8-Thiabicyclo[3.3.0]Octa-6,9-Dien-6-Yloxy)Propan-2-Ol Hydrochloride
[CAS# 85462-93-7]

Identification

• Name: 1-[2-(3,4-Dimethoxyphenyl)Ethylamino]-3-(8-Thiabicyclo[3.3.0]Octa-6,9-Dien-6-Yloxy)Propan-2-Ol Hydrochloride
• Synonyms: 1-(5,6-Dihydro-4H-Cyclopenta[D]Thiophen-3-Yloxy)-3-(Homoveratrylamino)Propan-2-Ol Hydrochloride; 2-Propanol, 1-((5,6-Dihydro-4H-Cyclopenta(B)Thien-3-Yl)Oxy)-3-((2-(3,4-Dimethoxyphenyl)Ethyl)Amino)-, Hydrochloride
• Molecular Formula: C₂₀H₂₈ClNO₄S
• Molecular Weight: 413.96
• CAS Registry Number: 85462-93-7
• SMILES: [H+].C2=C(OCC(O)CNCCC1=CC(=C(OC)C=C1)OC)C3=C(S2)CCC3.[Cl-]
• InChI: 1S/C20H27NO4S.ClH/c1-23-17-7-6-14(10-18(17)24-2)8-9-21-11-15(22)12-25-19-13-26-20-5-3-4-16(19)20;/h6-7,10,13,15,21-22H,3-5,8-9,11-12H2,1-2H3;1H
• InChIKey: OKBVMZRIHKHMGJ-UHFFFAOYSA-N

Properties

• Boiling point: 574.4°C at 760 mmHg (Cal.)
• Flash point: 301.2°C (Cal.)