1H-Indol-2-yl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)acetic acid
[CAS# 885275-76-3]

Identification

• Name: 1H-Indol-2-yl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)acetic acid
• Synonyms: 1H-Indol-2-yl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)essigsäure; 1-BOC-4-[CARBOXY-(1H-INDOL-2-YL)-METHYL]-[1,4]DIAZEPANE; 1H-Indol-2-yl(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)acetic acid
• Molecular Formula: C₂₀H₂₇N₃O₄
• Molecular Weight: 373.45
• CAS Registry Number: 885275-76-3
• SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C(c2cc3ccccc3[nH]2)C(=O)O
• InChI: 1S/C20H27N3O4/c1-20(2,3)27-19(26)23-10-6-9-22(11-12-23)17(18(24)25)16-13-14-7-4-5-8-15(14)21-16/h4-5,7-8,13,17,21H,6,9-12H2,1-3H3,(H,24,25)
• InChIKey: CSTJAORIIIMUKU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 543.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 282.6±30.1°C (Cal.)
• Refractive index: 1.61 (Cal.)