10-Fluoro-7-Thiophen-2-Yl-1,2,3,4,4a,5-Hexahydropyrazino[1,2-a][1,4]Benzodiazepine
[CAS# 110622-75-8]

Identification

• Name: 10-Fluoro-7-Thiophen-2-Yl-1,2,3,4,4a,5-Hexahydropyrazino[1,2-a][1,4]Benzodiazepine
• Synonyms: Pyrazino(1,2-A)(1,4)Benzodiazepine, 10-Fluoro-1,2,3,4,4A,5-Hexahydro-7-(2-Thienyl)-; 10-Fluoro-1,2,3,4,4A,5-Hexahydro-7-(2-Thienyl)Pyrazino(1,2-A)(1,4)Benzodiazepine; 10-Fluoro-7-(2-Thienyl)-1,2,3,4,4A,5-Hexahydropyrazino[1,2-A][1,4]Benzodiazepine
• Molecular Formula: C₁₆H₁₆FN₃S
• Molecular Weight: 301.38
• CAS Registry Number: 110622-75-8
• SMILES: C2=C1N4C(CN=C(C1=CC=C2F)C3=CC=CS3)CNCC4
• InChI: 1S/C16H16FN3S/c17-11-3-4-13-14(8-11)20-6-5-18-9-12(20)10-19-16(13)15-2-1-7-21-15/h1-4,7-8,12,18H,5-6,9-10H2
• InChIKey: PVYHRFIWKKDZDL-UHFFFAOYSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 448.225°C at 760 mmHg (Cal.)
• Flash point: 224.879°C (Cal.)