[4-(Diisopropylcarbamoyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl]boronic acid
[CAS# 953411-04-6]

Identification

• Name: [4-(Diisopropylcarbamoyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl]boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 4-[[bis(1-methylethyl)amino]carbonyl]-2-borono-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,4-[[bis(1-methylethyl)amino]carbonyl]-2-borono-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₂₀H₂₉BN₂O₅
• Molecular Weight: 388.27
• CAS Registry Number: 953411-04-6
• SMILES: B(c1cc2c(cccc2n1C(=O)OC(C)(C)C)C(=O)N(C(C)C)C(C)C)(O)O
• InChI: 1S/C20H29BN2O5/c1-12(2)22(13(3)4)18(24)14-9-8-10-16-15(14)11-17(21(26)27)23(16)19(25)28-20(5,6)7/h8-13,26-27H,1-7H3
• InChIKey: ZPALGJNKSRRODE-UHFFFAOYSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 572.312°C at 760 mmHg (Cal.)
• Flash point: 299.924°C (Cal.)
• Refractive index: 1.54 (Cal.)