2-[4-[(Z)-4-Chloro-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]-N-Methylethanamine
[CAS# 110503-61-2]

Identification

• Name: 2-[4-[(Z)-4-Chloro-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]-N-Methylethanamine
• Synonyms: 2-[4-[(Z)-4-Chloro-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]-N-Methyl-Ethanamine; 2-[4-[(Z)-4-Chloro-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl-Methyl-Amine; N-Demethyltoremifene
• Molecular Formula: C₂₅H₂₆ClNO
• Molecular Weight: 391.94
• CAS Registry Number: 110503-61-2
• SMILES: C3=C(\C(=C(C1=CC=CC=C1)\CCCl)C2=CC=CC=C2)C=CC(=C3)OCCNC
• InChI: 1S/C25H26ClNO/c1-27-18-19-28-23-14-12-22(13-15-23)25(21-10-6-3-7-11-21)24(16-17-26)20-8-4-2-5-9-20/h2-15,27H,16-19H2,1H3/b25-24-
• InChIKey: WKJKBQYEFAFHCY-IZHYLOQSSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 540.8°C at 760 mmHg (Cal.)
• Flash point: 280.866°C (Cal.)