(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-[2-(1-piperidinyl)ethoxy]-1H-indol-2-yl)boronic acid
[CAS# 913388-68-8]

Identification

• Name: (1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-[2-(1-piperidinyl)ethoxy]-1H-indol-2-yl)boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-5-[2-(1-piperidinyl)ethoxy]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-[2-(1-piperidinyl)ethoxy]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₂₀H₂₉BN₂O₅
• Molecular Weight: 388.27
• CAS Registry Number: 913388-68-8
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)OCCN3CCCCC3)(O)O
• InChI: 1S/C20H29BN2O5/c1-20(2,3)28-19(24)23-17-8-7-16(13-15(17)14-18(23)21(25)26)27-12-11-22-9-5-4-6-10-22/h7-8,13-14,25-26H,4-6,9-12H2,1-3H3
• InChIKey: VNMLTLGNTFIWHU-UHFFFAOYSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 577.929°C at 760 mmHg (Cal.)
• Flash point: 303.321°C (Cal.)
• Refractive index: 1.564 (Cal.)