2-(3-Methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
[CAS# 904815-76-5]

Identification

• Name: 2-(3-Methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
• Synonyms: 2-(3-Methoxy-phenyl)-2,3,4,5-tetrahydro-; 1H-benzo[b][1,4]diazepine; 2-(3-Methoxy-phenyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine
• Molecular Formula: C₁₆H₁₈N₂O
• Molecular Weight: 254.33
• CAS Registry Number: 904815-76-5
• SMILES: COc1cccc(c1)C2CCNc3ccccc3N2
• InChI: 1S/C16H18N2O/c1-19-13-6-4-5-12(11-13)14-9-10-17-15-7-2-3-8-16(15)18-14/h2-8,11,14,17-18H,9-10H2,1H3
• InChIKey: XREDPYWOUGGAIR-UHFFFAOYSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 438.57°C at 760 mmHg (Cal.)
• Flash point: 177.518°C (Cal.)
• Refractive index: 1.564 (Cal.)