3-(3-Methylbutyl)-7-Thiophen-2-Yl-2,4,4a,5-Tetrahydro-1H-Pyrazino[1,2-a][1,4]Benzodiazepine Dihydrochloride
[CAS# 105138-51-0]

Identification

• Name: 3-(3-Methylbutyl)-7-Thiophen-2-Yl-2,4,4a,5-Tetrahydro-1H-Pyrazino[1,2-a][1,4]Benzodiazepine Dihydrochloride
• Synonyms: 3-Isopentyl-7-(2-Thienyl)-2,4,4A,5-Tetrahydro-1H-Pyrazino[1,2-A][1,4]Benzodiazepine Dihydrochloride; 3-Isoamyl-7-(2-Thienyl)-2,4,4A,5-Tetrahydro-1H-Pyrazino[1,2-A][1,4]Benzodiazepine Dihydrochloride; Pyrazino(1,2-A)(1,4)Benzodiazepine, 1,2,3,4,4A,5-Hexahydro-3-(3-Methylbutyl)-7-(2-Thienyl)-, Dihydrochloride
• Molecular Formula: C₂₁H₂₉Cl₂N₃S
• Molecular Weight: 426.45
• CAS Registry Number: 105138-51-0
• SMILES: [H+].[H+].C(N4CC2N(C1=CC=CC=C1C(=NC2)C3=CC=CS3)CC4)CC(C)C.[Cl-].[Cl-]
• InChI: 1S/C21H27N3S.2ClH/c1-16(2)9-10-23-11-12-24-17(15-23)14-22-21(20-8-5-13-25-20)18-6-3-4-7-19(18)24;;/h3-8,13,16-17H,9-12,14-15H2,1-2H3;2*1H
• InChIKey: WCVCOQJRYARTOG-UHFFFAOYSA-N

Properties

• Boiling point: 470.2°C at 760 mmHg (Cal.)
• Flash point: 238.2°C (Cal.)