[5-(4-Methyl-1-piperazinyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl]boronic acid
[CAS# 913388-75-7]

Identification

• Name: [5-(4-Methyl-1-piperazinyl)-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)-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-(4-methyl-1-piperazinyl)-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₁₈H₂₆BN₃O₄
• Molecular Weight: 359.23
• CAS Registry Number: 913388-75-7
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)N3CCN(CC3)C)(O)O
• InChI: 1S/C18H26BN3O4/c1-18(2,3)26-17(23)22-15-6-5-14(21-9-7-20(4)8-10-21)11-13(15)12-16(22)19(24)25/h5-6,11-12,24-25H,7-10H2,1-4H3
• InChIKey: OZQAFAFYPNSEQW-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 549.386°C at 760 mmHg (Cal.)
• Flash point: 286.058°C (Cal.)
• Refractive index: 1.582 (Cal.)