4-Iodotamoxifen
[CAS# 116057-68-2]

Identification

• Name: 4-Iodotamoxifen
• Synonyms: 2-[4-[(Z)-1-(4-Iodophenyl)-2-Phenyl-But-1-Enyl]Phenoxy]-N,N-Dimethyl-Ethanamine; 2-[4-[(Z)-1-(4-Iodophenyl)-2-Phenyl-But-1-Enyl]Phenoxy]Ethyl-Dimethyl-Amine; 2-(4-(1-(4-Iodophenyl)-2-Phenyl-1-Butenyl)Phenoxy)-N,N-Dimethylethylamine
• Molecular Formula: C₂₆H₂₈INO
• Molecular Weight: 497.42
• CAS Registry Number: 116057-68-2
• SMILES: C1=CC(=CC=C1/C(=C(/CC)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN(C)C)I
• InChI: 1S/C26H28INO/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(27)15-11-21)22-12-16-24(17-13-22)29-19-18-28(2)3/h5-17H,4,18-19H2,1-3H3/b26-25+
• InChIKey: BSZGETWFQDIDDX-OCEACIFDSA-N

Properties

• Density: 1.315g/cm³ (Cal.)
• Boiling point: 532.603°C at 760 mmHg (Cal.)
• Flash point: 275.908°C (Cal.)