[5-({[3-(Dimethylamino)-2,2-dimethylpropyl]amino}methyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl]boronic acid
[CAS# 913388-72-4]

Identification

• Name: [5-({[3-(Dimethylamino)-2,2-dimethylpropyl]amino}methyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl]boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₂₁H₃₄BN₃O₄
• Molecular Weight: 403.32
• CAS Registry Number: 913388-72-4
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)CNCC(C)(C)CN(C)C)(O)O
• InChI: 1S/C21H34BN3O4/c1-20(2,3)29-19(26)25-17-9-8-15(10-16(17)11-18(25)22(27)28)12-23-13-21(4,5)14-24(6)7/h8-11,23,27-28H,12-14H2,1-7H3
• InChIKey: VYWPVMOKIAJTNK-UHFFFAOYSA-N

Properties

• Density: 1.097g/cm³ (Cal.)
• Boiling point: 555.359°C at 760 mmHg (Cal.)
• Flash point: 289.671°C (Cal.)
• Refractive index: 1.53 (Cal.)