8-Chloro-1-Methyl-5-(4-Methylpiperazin-1-Yl)-6-Phenyl-[1,2,4]Triazolo[4,3-a][1,5]Benzodiazepine
[CAS# 153901-56-5]

Identification

• Name: 8-Chloro-1-Methyl-5-(4-Methylpiperazin-1-Yl)-6-Phenyl-[1,2,4]Triazolo[4,3-a][1,5]Benzodiazepine
• Synonyms: 8-Chloro-1-Methyl-5-(4-Methyl-1-Piperazinyl)-6-Phenyl-[1,2,4]Triazolo[4,3-A][1,5]Benzodiazepine; 6H-(1,2,4)Triazolo(4,3-A)(1,5)Benzodiazepine, 8-Chloro-1-Methyl-5-(4-Methyl-1-Piperazinyl)-6-Phenyl-
• Molecular Formula: C₂₂H₂₃ClN₆
• Molecular Weight: 406.92
• CAS Registry Number: 153901-56-5
• SMILES: C3=C2N(C(=CC1=NN=C([N]1C2=CC=C3Cl)C)N4CCN(CC4)C)C5=CC=CC=C5
• InChI: 1S/C22H23ClN6/c1-16-24-25-21-15-22(27-12-10-26(2)11-13-27)29(18-6-4-3-5-7-18)20-14-17(23)8-9-19(20)28(16)21/h3-9,14-15H,10-13H2,1-2H3
• InChIKey: IVTYOJOLKCTFCX-UHFFFAOYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 573.109°C at 760 mmHg (Cal.)
• Flash point: 300.406°C (Cal.)