2-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
[CAS# 904815-53-8]

Identification

• Name: 2-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
• Synonyms: 2-(2H-1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine; 2-Benzo[1,3]dioxol-5-yl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]; 2-Benzo[1,3]dioxol-5-yl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]; diazepine
• Molecular Formula: C₁₆H₁₆N₂O₂
• Molecular Weight: 268.31
• CAS Registry Number: 904815-53-8
• SMILES: O1c2ccc(cc2OC1)C3Nc4ccccc4NCC3
• InChI: 1S/C16H16N2O2/c1-2-4-14-13(3-1)17-8-7-12(18-14)11-5-6-15-16(9-11)20-10-19-15/h1-6,9,12,17-18H,7-8,10H2
• InChIKey: ODCYKHDOEVDMMH-UHFFFAOYSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 457.736°C at 760 mmHg (Cal.)
• Flash point: 182.715°C (Cal.)
• Refractive index: 1.6 (Cal.)