7-Chloro-2-(N-Methoxymethyl-N-Methylamino)-5-Phenyl-3H-1,4-Benzodiazepine 4-Oxide
[CAS# 69353-35-1]

Identification

• Name: 7-Chloro-2-(N-Methoxymethyl-N-Methylamino)-5-Phenyl-3H-1,4-Benzodiazepine 4-Oxide
• Synonyms: (7-Chloro-4-Oxido-5-Phenyl-3H-1,4-Benzodiazepin-4-Ium-2-Yl)-(Methoxymethyl)-Methyl-Amine; 3H-1,4-Benzodiazepine, 7-Chloro-2-(N-Methoxymethyl-N-Methylamino)-5-Phenyl-, 4-O; 3H-1,4-Benzodiazepine, 7-Chloro-2-(N-Methoxymethyl-N-Methylamino)-5-Phenyl-, 4-Oxide
• Molecular Formula: C₁₈H₁₈ClN₃O₂
• Molecular Weight: 343.81
• CAS Registry Number: 69353-35-1
• SMILES: C2=C1C(=[N+]([O-])CC(=NC1=CC=C2Cl)N(COC)C)C3=CC=CC=C3
• InChI: 1S/C18H18ClN3O2/c1-21(12-24-2)17-11-22(23)18(13-6-4-3-5-7-13)15-10-14(19)8-9-16(15)20-17/h3-10H,11-12H2,1-2H3
• InChIKey: KQPFSYLHGSHACB-UHFFFAOYSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 522.962°C at 760 mmHg (Cal.)
• Flash point: 270.078°C (Cal.)