8-[4-(4-Fluorophenyl)-4-Oxobutyl]-3-[(E)-3-Iodoprop-2-Enyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One
[CAS# 124654-22-4]

Identification

• Name: 8-[4-(4-Fluorophenyl)-4-Oxobutyl]-3-[(E)-3-Iodoprop-2-Enyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One
• Synonyms: 8-[4-(4-Fluorophenyl)-4-Oxo-Butyl]-3-[(E)-3-Iodoprop-2-Enyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One; 8-[4-(4-Fluorophenyl)-4-Keto-Butyl]-3-[(E)-3-Iodoprop-2-Enyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One; (E)-N-(Iodoallyl)Spiperone
• Molecular Formula: C₂₆H₂₉FIN₃O₂
• Molecular Weight: 561.44
• CAS Registry Number: 124654-22-4
• SMILES: C1=CC=CC=C1N2CN(C(C23CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)=O)C\C=C\I
• InChI: 1S/C26H29FIN3O2/c27-22-11-9-21(10-12-22)24(32)8-4-16-29-18-13-26(14-19-29)25(33)30(17-5-15-28)20-31(26)23-6-2-1-3-7-23/h1-3,5-7,9-12,15H,4,8,13-14,16-20H2/b15-5+
• InChIKey: ATXGTUVMXAHMLW-PJQLUOCWSA-N

Properties

• Density: 1.512g/cm³ (Cal.)
• Boiling point: 679.275°C at 760 mmHg (Cal.)
• Flash point: 364.613°C (Cal.)