10-Methoxy-3-methyl-7-(2-thienyl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine
[CAS# 87566-80-1]

Identification

• Name: 10-Methoxy-3-methyl-7-(2-thienyl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine
• Synonyms: 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine; Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-10-methoxy-3-methyl-7-(2-thienyl)-
• Molecular Formula: C₁₈H₂₁N₃OS
• Molecular Weight: 327.44
• CAS Registry Number: 87566-80-1
• SMILES: N\3=C(/c1sccc1)c2ccc(OC)cc2N4C(C/3)CN(C)CC4
• InChI: 1S/C18H21N3OS/c1-20-7-8-21-13(12-20)11-19-18(17-4-3-9-23-17)15-6-5-14(22-2)10-16(15)21/h3-6,9-10,13H,7-8,11-12H2,1-2H3
• InChIKey: SFQDCUZFKUPZFC-UHFFFAOYSA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 469.682°C at 760 mmHg (Cal.)
• Flash point: 237.855°C (Cal.)