(5-[3-(Dimethylamino)propyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
[CAS# 913388-76-8]

Identification

• Name: (5-[3-(Dimethylamino)propyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-yl)boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-5-[3-(dimethylamino)propyl]-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-[3-(dimethylamino)propyl]-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₁₈H₂₇BN₂O₄
• Molecular Weight: 346.23
• CAS Registry Number: 913388-76-8
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)CCCN(C)C)(O)O
• InChI: 1S/C18H27BN2O4/c1-18(2,3)25-17(22)21-15-9-8-13(7-6-10-20(4)5)11-14(15)12-16(21)19(23)24/h8-9,11-12,23-24H,6-7,10H2,1-5H3
• InChIKey: RBDBXNGTQSNMBO-UHFFFAOYSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 512.341°C at 760 mmHg (Cal.)
• Flash point: 263.654°C (Cal.)
• Refractive index: 1.533 (Cal.)