4-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1H-1,5-benzodiazepine
[CAS# 904815-46-9]

Identification

• Name: 4-(1,3-Benzodioxol-5-yl)-2,3-dihydro-1H-1,5-benzodiazepine
• Synonyms: 4-(2H-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-1,5-benzodiazepine; 4-Benzo[1,3]dioxol-5-yl-2,3-dihydro-1H-benzo[b][1,4]diazepine
• Molecular Formula: C₁₆H₁₄N₂O₂
• Molecular Weight: 266.29
• CAS Registry Number: 904815-46-9
• SMILES: O1c2ccc(cc2OC1)\C3=N\c4ccccc4NCC3
• InChI: 1S/C16H14N2O2/c1-2-4-14-13(3-1)17-8-7-12(18-14)11-5-6-15-16(9-11)20-10-19-15/h1-6,9,17H,7-8,10H2
• InChIKey: WRNHZYLRRYWQBN-UHFFFAOYSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 431.034°C at 760 mmHg (Cal.)
• Flash point: 214.482°C (Cal.)
• Refractive index: 1.679 (Cal.)