Isamoltan Hemifumarate
[CAS# 55050-95-8]

Identification

• Name: Isamoltan Hemifumarate
• Synonyms: 1-(Isopropylamino)-3-(2-Pyrrol-1-Ylphenoxy)Propan-2-Ol; 1-(Isopropylamino)-3-[2-(1-Pyrrolyl)Phenoxy]Propan-2-Ol; (- )-1-(Isopropylamino)-3-(O-Pyrrol-1-Ylphenoxy)-2-Propanol.
• Molecular Formula: C₁₆H₂₂N₂O₂
• Molecular Weight: 274.36
• CAS Registry Number: 55050-95-8
• SMILES: C1=C(C(=CC=C1)OCC(CNC(C)C)O)[N]2C=CC=C2
• InChI: 1S/C16H22N2O2/c1-13(2)17-11-14(19)12-20-16-8-4-3-7-15(16)18-9-5-6-10-18/h3-10,13-14,17,19H,11-12H2,1-2H3
• InChIKey: XVTVPGKWYHWYAD-UHFFFAOYSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 443.409°C at 760 mmHg (Cal.)
• Flash point: 221.966°C (Cal.)