(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-6-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)carbonyl]-1H-indol-2-yl)boronic acid
[CAS# 913388-59-7]

Identification

• Name: (1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-6-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)carbonyl]-1H-indol-2-yl)boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-6-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-6-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]carbonyl]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₂₃H₃₂BN₃O₇
• Molecular Weight: 473.33
• CAS Registry Number: 913388-59-7
• SMILES: B(c1cc2ccc(cc2n1C(=O)OC(C)(C)C)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)(O)O
• InChI: 1S/C23H32BN3O7/c1-22(2,3)33-20(29)26-11-9-25(10-12-26)19(28)16-8-7-15-14-18(24(31)32)27(17(15)13-16)21(30)34-23(4,5)6/h7-8,13-14,31-32H,9-12H2,1-6H3
• InChIKey: HATFYIYDEXBADO-UHFFFAOYSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 658.001°C at 760 mmHg (Cal.)
• Flash point: 351.746°C (Cal.)
• Refractive index: 1.571 (Cal.)