(6-{[(3,3-Dimethyl-2-butanyl)(methyl)amino]methyl}-4-(3-hydroxy-3-methylbutyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
[CAS# 943637-14-7]

Identification

• Name: (6-{[(3,3-Dimethyl-2-butanyl)(methyl)amino]methyl}-4-(3-hydroxy-3-methylbutyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₂₆H₄₃BN₂O₅
• Molecular Weight: 474.44
• CAS Registry Number: 943637-14-7
• SMILES: B(c1cc2c(cc(cc2n1C(=O)OC(C)(C)C)CN(C)C(C)C(C)(C)C)CCC(C)(C)O)(O)O
• InChI: 1S/C26H43BN2O5/c1-17(24(2,3)4)28(10)16-18-13-19(11-12-26(8,9)31)20-15-22(27(32)33)29(21(20)14-18)23(30)34-25(5,6)7/h13-15,17,31-33H,11-12,16H2,1-10H3
• InChIKey: VWZDRKUIILQDLW-UHFFFAOYSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 604.484°C at 760 mmHg (Cal.)
• Flash point: 319.381°C (Cal.)
• Refractive index: 1.519 (Cal.)