2-Homopiperidino-Methyl-3-(2-Tolyl)-4-(3H)-6-Iodoquinazolone
[CAS# 80930-91-2]

Identification

• Name: 2-Homopiperidino-Methyl-3-(2-Tolyl)-4-(3H)-6-Iodoquinazolone
• Synonyms: 2-(1-Azepanylmethyl)-6-Iodo-3-(2-Methylphenyl)-4-Quinazolinone; 2-((Hexahydro-1H-Azepin-1-Yl)Methyl)-6-Iodo-3-(2-Methylphenyl)-4(3H)-Quinazolinone; 2-Homopiperidino-Methyl-3-(2-Tolyl)-4-(3H)-6-Iodoquinazolone
• Molecular Formula: C₂₂H₂₄IN₃O
• Molecular Weight: 473.36
• CAS Registry Number: 80930-91-2
• SMILES: C1=CC=CC(=C1C)N3C(=NC2=C(C=C(C=C2)I)C3=O)CN4CCCCCC4
• InChI: 1S/C22H24IN3O/c1-16-8-4-5-9-20(16)26-21(15-25-12-6-2-3-7-13-25)24-19-11-10-17(23)14-18(19)22(26)27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3
• InChIKey: CUSBTMBNTIPIBQ-UHFFFAOYSA-N

Properties

• Density: 1.513g/cm³ (Cal.)
• Boiling point: 564.889°C at 760 mmHg (Cal.)
• Flash point: 295.434°C (Cal.)