1-Benzofuran-2-yl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)acetic acid
[CAS# 885275-79-6]

Identification

• Name: 1-Benzofuran-2-yl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)acetic acid
• Synonyms: 1-Benzofuran-2-yl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)acetic acid; 1-Benzofuran-2-yl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)essigsäure; 1-BOC-4-(BENZOFURAN-2-YL-CARBOXY-METHYL)-[1,4]DIAZEPANE
• Molecular Formula: C₂₀H₂₆N₂O₅
• Molecular Weight: 374.43
• CAS Registry Number: 885275-79-6
• SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C(c2cc3ccccc3o2)C(=O)O
• InChI: 1S/C20H26N2O5/c1-20(2,3)27-19(25)22-10-6-9-21(11-12-22)17(18(23)24)16-13-14-7-4-5-8-15(14)26-16/h4-5,7-8,13,17H,6,9-12H2,1-3H3,(H,23,24)
• InChIKey: IPNVAELLYIYJQT-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 497.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 254.5±28.7°C (Cal.)
• Refractive index: 1.583 (Cal.)