4-Iodospiperone
[CAS# 85562-22-7]

Identification

• Name: 4-Iodospiperone
• Synonyms: 8-[4-(4-Fluorophenyl)-4-Oxo-Butyl]-1-(4-Iodophenyl)-1,3,8-Triazaspiro[4.5]Decan-4-One; 8-[4-(4-Fluorophenyl)-4-Keto-Butyl]-1-(4-Iodophenyl)-1,3,8-Triazaspiro[4.5]Decan-4-One; 4-Iodospiperone
• Molecular Formula: C₂₃H₂₅FIN₃O₂
• Molecular Weight: 521.37
• CAS Registry Number: 85562-22-7
• SMILES: C1=CC(=CC=C1N2CNC(C23CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)=O)I
• InChI: 1S/C23H25FIN3O2/c24-18-5-3-17(4-6-18)21(29)2-1-13-27-14-11-23(12-15-27)22(30)26-16-28(23)20-9-7-19(25)8-10-20/h3-10H,1-2,11-16H2,(H,26,30)
• InChIKey: NKQFLOMSNYAUKW-UHFFFAOYSA-N

Properties

• Density: 1.578g/cm³ (Cal.)
• Boiling point: 681.536°C at 760 mmHg (Cal.)
• Flash point: 365.98°C (Cal.)