7-Chloro-N,N-Dimethyl-4-Oxido-5-Phenyl-3H-1,4-Benzodiazepin-4-Ium-2-Amine
[CAS# 3693-14-9]

Identification

• Name: 7-Chloro-N,N-Dimethyl-4-Oxido-5-Phenyl-3H-1,4-Benzodiazepin-4-Ium-2-Amine
• Synonyms: (7-Chloro-4-Oxido-5-Phenyl-3H-1,4-Benzodiazepin-4-Ium-2-Yl)-Dimethyl-Amine; 5-25-11-00431 (Beilstein Handbook Reference); 7-Chloro-2-Dimethylamino-5-Phenyl-3H-1,4-Benzodiazepine 4-Oxide
• Molecular Formula: C₁₇H₁₆ClN₃O
• Molecular Weight: 313.79
• CAS Registry Number: 3693-14-9
• SMILES: C2=C1C(=[N+]([O-])CC(=NC1=CC=C2Cl)N(C)C)C3=CC=CC=C3
• InChI: 1S/C17H16ClN3O/c1-20(2)16-11-21(22)17(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)19-16/h3-10H,11H2,1-2H3
• InChIKey: DQZUAVXXQQOPOW-UHFFFAOYSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 503.411°C at 760 mmHg (Cal.)
• Flash point: 258.254°C (Cal.)