2-Methyl-2-propanyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
[CAS# 904815-39-0]

Identification

• Name: 2-Methyl-2-propanyl 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate
• Synonyms: 4-Phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carboxylic acid tert-butyl ester
• Molecular Formula: C₂₀H₂₄N₂O₂
• Molecular Weight: 324.42
• CAS Registry Number: 904815-39-0
• SMILES: O=C(OC(C)(C)C)N3c1c(cccc1)NC(c2ccccc2)CC3
• InChI: 1S/C20H24N2O2/c1-20(2,3)24-19(23)22-14-13-16(15-9-5-4-6-10-15)21-17-11-7-8-12-18(17)22/h4-12,16,21H,13-14H2,1-3H3
• InChIKey: IDLLPNGJRDBQAW-UHFFFAOYSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 461.364°C at 760 mmHg (Cal.)
• Flash point: 232.825°C (Cal.)
• Refractive index: 1.56 (Cal.)