(5-[(4,4-Dimethoxy-1-piperidinyl)methyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
[CAS# 913388-69-9]

Identification

• Name: (5-[(4,4-Dimethoxy-1-piperidinyl)methyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-5-[(4,4-dimethoxy-1-piperidinyl)methyl]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-[(4,4-dimethoxy-1-piperidinyl)methyl]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₂₁H₃₁BN₂O₆
• Molecular Weight: 418.29
• CAS Registry Number: 913388-69-9
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)CN3CCC(CC3)(OC)OC)(O)O
• InChI: 1S/C21H31BN2O6/c1-20(2,3)30-19(25)24-17-7-6-15(12-16(17)13-18(24)22(26)27)14-23-10-8-21(28-4,29-5)9-11-23/h6-7,12-13,26-27H,8-11,14H2,1-5H3
• InChIKey: PFVDVTKMMZFCJR-UHFFFAOYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 557.55°C at 760 mmHg (Cal.)
• Flash point: 290.996°C (Cal.)
• Refractive index: 1.55 (Cal.)