(5-[(4-Methyl-1-piperazinyl)carbonyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
[CAS# 913388-57-5]

Identification

• Name: (5-[(4-Methyl-1-piperazinyl)carbonyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-5-[(4-methyl-1-piperazinyl)carbonyl]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-[(4-methyl-1-piperazinyl)carbonyl]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₁₉H₂₆BN₃O₅
• Molecular Weight: 387.24
• CAS Registry Number: 913388-57-5
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)C(=O)N3CCN(CC3)C)(O)O
• InChI: 1S/C19H26BN3O5/c1-19(2,3)28-18(25)23-15-6-5-13(11-14(15)12-16(23)20(26)27)17(24)22-9-7-21(4)8-10-22/h5-6,11-12,26-27H,7-10H2,1-4H3
• InChIKey: LBGDJMZIAMJAMK-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 594.579°C at 760 mmHg (Cal.)
• Flash point: 313.39°C (Cal.)
• Refractive index: 1.589 (Cal.)