8-Chloro-5-(4-Methylpiperazin-1-Yl)-6-Phenyl-[1,2,4]Triazolo[4,3-a][1,5]Benzodiazepine
[CAS# 153901-53-2]

Identification

• Name: 8-Chloro-5-(4-Methylpiperazin-1-Yl)-6-Phenyl-[1,2,4]Triazolo[4,3-a][1,5]Benzodiazepine
• Synonyms: 8-Chloro-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-5-(4-Methyl-1-Piperazinyl)-6-Phenyl-; 8-Chloro-5-(4-Methyl-1-Piperazinyl)-6-Phenyl-6H-(1,2,4)Triazolo(4,3-A)(1,5)Benzodiazepine
• Molecular Formula: C₂₁H₂₁ClN₆
• Molecular Weight: 392.89
• CAS Registry Number: 153901-53-2
• SMILES: C3=C2N(C(=CC1=NN=C[N]1C2=CC=C3Cl)N4CCN(CC4)C)C5=CC=CC=C5
• InChI: 1S/C21H21ClN6/c1-25-9-11-26(12-10-25)21-14-20-24-23-15-27(20)18-8-7-16(22)13-19(18)28(21)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3
• InChIKey: WPYFXLHZFADOMI-UHFFFAOYSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 555.153°C at 760 mmHg (Cal.)
• Flash point: 289.546°C (Cal.)