2-Methyl-2-Propanyl 7-Benzyl-9-Oxo-3,7-Diazabicyclo[3.3.1]Nonane-3-Carboxylate
[CAS# 227940-70-7]

Identification

• Name: 2-Methyl-2-Propanyl 7-Benzyl-9-Oxo-3,7-Diazabicyclo[3.3.1]Nonane-3-Carboxylate
• Synonyms: 3,7-DIAZABICYCLO[3.3.1]NONANE-3-CARBOXYLICACID, 9-OXO-7-(PHENYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER; 7-Benzyl-3-Boc-3,7-diazabicyclo[3.3.1]nonan-9-one; 7-Benzyl-9-oxo-3,7-diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester
• Molecular Formula: C₁₉H₂₆N₂O₃
• Molecular Weight: 330.42
• CAS Registry Number: 227940-70-7
• SMILES: CC(C)(C)OC(=O)N1CC2CN(CC(C1)C2=O)CC3=CC=CC=C3
• InChI: 1S/C19H26N2O3/c1-19(2,3)24-18(23)21-12-15-10-20(11-16(13-21)17(15)22)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
• InChIKey: NQUQKYBHLOZWLJ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 455.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 229.5±28.7°C (Cal.)
• Refractive index: 1.556 (Cal.)

Safety Data

• Safety Description: IRRITANT