2-Furyl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)acetic acid
[CAS# 885275-82-1]

Identification

• Name: 2-Furyl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)acetic acid
• Synonyms: 1-BOC-4-(CARBOXY-FURAN-2-YL-METHYL)-[1,4]DIAZEPANE; 1H-1,4-Diazepine-1-acetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-α-2-furanylhexahydro-; 1H-1,4-DIAZEPINE-1-ACETICACID, 4-[(1,1-DIMETHYLETHOXY)CARBONYL]-A-2-FURANYLHEXAHYDRO-
• Molecular Formula: C₁₆H₂₄N₂O₅
• Molecular Weight: 324.37
• CAS Registry Number: 885275-82-1
• SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C(c2ccco2)C(=O)O
• InChI: 1S/C16H24N2O5/c1-16(2,3)23-15(21)18-8-5-7-17(9-10-18)13(14(19)20)12-6-4-11-22-12/h4,6,11,13H,5,7-10H2,1-3H3,(H,19,20)
• InChIKey: OPLSAKPKNAYAOR-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 412.3±45.0°C at 760 mmHg (Cal.)
• Flash point: 203.1±28.7°C (Cal.)
• Refractive index: 1.533 (Cal.)