7-Chloro-N-Methyl-5-Phenyl-N-(Phenylmethyl)-3H-1,4-Benzodiazepin-2-Amine4-Oxide
[CAS# 63991-69-5]

Identification

• Name: 7-Chloro-N-Methyl-5-Phenyl-N-(Phenylmethyl)-3H-1,4-Benzodiazepin-2-Amine4-Oxide
• Synonyms: Benzyl-(7-Chloro-4-Oxido-5-Phenyl-3H-1,4-Benzodiazepin-4-Ium-2-Yl)-Methyl-Amine; Brn 0709446; N-Benzyl-7-Chloro-N-Methyl-5-Phenyl-3H-1,4-Benzodiazepin-2-Amine 4-Oxide
• Molecular Formula: C₂₃H₂₀ClN₃O
• Molecular Weight: 389.88
• CAS Registry Number: 63991-69-5
• SMILES: C1=C(Cl)C=CC2=C1C(=[N+]([O-])CC(=N2)N(CC3=CC=CC=C3)C)C4=CC=CC=C4
• InChI: 1S/C23H20ClN3O/c1-26(15-17-8-4-2-5-9-17)22-16-27(28)23(18-10-6-3-7-11-18)20-14-19(24)12-13-21(20)25-22/h2-14H,15-16H2,1H3
• InChIKey: KTWONIDOBNOYMH-UHFFFAOYSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 591.706°C at 760 mmHg (Cal.)
• Flash point: 311.653°C (Cal.)