(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-[(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)amino]-1H-indol-2-yl)boronic acid
[CAS# 913388-67-7]

Identification

• Name: (1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-[(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)amino]-1H-indol-2-yl)boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-5-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]amino]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinyl]amino]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₂₃H₃₄BN₃O₆
• Molecular Weight: 459.34
• CAS Registry Number: 913388-67-7
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)NC3CCN(CC3)C(=O)OC(C)(C)C)(O)O
• InChI: 1S/C23H34BN3O6/c1-22(2,3)32-20(28)26-11-9-16(10-12-26)25-17-7-8-18-15(13-17)14-19(24(30)31)27(18)21(29)33-23(4,5)6/h7-8,13-14,16,25,30-31H,9-12H2,1-6H3
• InChIKey: YNFUMWSSSIXPKJ-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 638.788°C at 760 mmHg (Cal.)
• Flash point: 340.127°C (Cal.)
• Refractive index: 1.567 (Cal.)