7-Chloro-5-Phenyl-3H-1,4-Benzodiazepin-2-Amine 4-Oxide
[CAS# 7722-15-8]

Identification

• Name: 7-Chloro-5-Phenyl-3H-1,4-Benzodiazepin-2-Amine 4-Oxide
• Synonyms: (7-Chloro-4-Oxido-5-Phenyl-3H-1,4-Benzodiazepin-4-Ium-2-Yl)Ammonium Chloride; 3H-1,4-Benzodiazepin-2-Amine, 7-Chloro-5-Phenyl-, 4-Oxide, Hydrochloride; N-Demethylchlordiazepoxide
• Molecular Formula: C₁₅H₁₃Cl₂N₃O
• Molecular Weight: 322.19
• CAS Registry Number: 7722-15-8
• SMILES: C1=C(Cl)C=CC2=C1C(=[N+]([O-])CC(=N2)[NH3+])C3=CC=CC=C3.[Cl-]
• InChI: 1S/C15H12ClN3O.ClH/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19(20)9-14(17)18-13;/h1-8H,9H2,(H2,17,18);1H
• InChIKey: TXSNGDIKHMAOPO-UHFFFAOYSA-N

Properties

• Boiling point: 532.5°C at 760 mmHg (Cal.)
• Flash point: 275.9°C (Cal.)