2,3,6,7,8,9,10,11-Octahydro-6-Phenyl-1H-[1,5,9]Triazacyclotridesino[2,1-a][2]Benzazepine-4,13(5H,19Bh)-Dione
[CAS# 67257-79-8]

Identification

• Name: 2,3,6,7,8,9,10,11-Octahydro-6-Phenyl-1H-[1,5,9]Triazacyclotridesino[2,1-a][2]Benzazepine-4,13(5H,19Bh)-Dione
• Synonyms: C10612; Pleurostyline; Pleurostylin
• Molecular Formula: C₂₅H₂₉N₃O₂
• Molecular Weight: 403.52
• CAS Registry Number: 67257-79-8
• SMILES: C2=C1C4N(C(C=CC1=CC=C2)=O)CCCCNC(C3=CC=CC=C3)CC(NCC4)=O
• InChI: 1S/C25H29N3O2/c29-24-18-22(20-9-2-1-3-10-20)26-15-6-7-17-28-23(14-16-27-24)21-11-5-4-8-19(21)12-13-25(28)30/h1-5,8-13,22-23,26H,6-7,14-18H2,(H,27,29)
• InChIKey: DKCWAFAXQGAJSD-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 705.748°C at 760 mmHg (Cal.)
• Flash point: 380.623°C (Cal.)