Ethyl N-[11-[3-(3,4,6,7,8,8a-Hexahydro-1H-Pyrrolo[2,1-c]Pyrazin-2-Yl)Propanoyl]-5,6-Dihydrobenzo[b][1]Benzazepin-9-Yl]Carbamate
[CAS# 78816-43-0]

Identification

• Name: Ethyl N-[11-[3-(3,4,6,7,8,8a-Hexahydro-1H-Pyrrolo[2,1-c]Pyrazin-2-Yl)Propanoyl]-5,6-Dihydrobenzo[b][1]Benzazepin-9-Yl]Carbamate
• Synonyms: N-[11-[3-(3,4,6,7,8,8A-Hexahydro-1H-Pyrrolo[2,1-C]Pyrazin-2-Yl)-1-Oxopropyl]-5,6-Dihydrobenzo[B][1]Benzazepin-9-Yl]Carbamic Acid Ethyl Ester; N-[11-[3-(3,4,6,7,8,8A-Hexahydro-1H-Pyrrolo[2,1-C]Pyrazin-2-Yl)Propanoyl]-5,6-Dihydrobenzo[B][1]Benzazepin-9-Yl]Carbamic Acid Ethyl Ester; Stock1s-03932
• Molecular Formula: C₂₇H₃₄N₄O₃
• Molecular Weight: 462.59
• CAS Registry Number: 78816-43-0
• SMILES: C1=C5C(=CC(=C1)NC(=O)OCC)N(C(CCN2CC3N(CC2)CCC3)=O)C4=CC=CC=C4CC5
• InChI: 1S/C27H34N4O3/c1-2-34-27(33)28-22-12-11-21-10-9-20-6-3-4-8-24(20)31(25(21)18-22)26(32)13-15-29-16-17-30-14-5-7-23(30)19-29/h3-4,6,8,11-12,18,23H,2,5,7,9-10,13-17,19H2,1H3,(H,28,33)
• InChIKey: CGUZVNGKGNOPPX-UHFFFAOYSA-N

Properties

• Density: 1.273g/cm³ (Cal.)
• Boiling point: 642.655°C at 760 mmHg (Cal.)
• Flash point: 342.466°C (Cal.)