8-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

• ChemBase ID: 297800
• Molecular Formular: C15H18BNO2
• Molecular Mass: 255.11992
• Monoisotopic Mass: 255.14305922
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cccc2c1nccc2
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc2c1nccc2
• InChI: InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-5-7-11-8-6-10-17-13(11)12/h5-10H,1-4H3
• InChIKey: RNTGVJBKPQOGPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• IUPAC Traditional name: 8-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• Synonyms: Quinoline-8-boronic acid pinacol ester; 8-喹啉硼酸频哪醇酯

Database IDs

• CAS Number: 190788-62-6
• MDL Number: MFCD05663894
• PubChem SID: 180683331
• PubChem CID: 17750280

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9851441
• LogD (pH = 7.4): 3.989741
• Log P: 3.9898
• Molar Refractivity: 69.6344 cm^3
• Polarizability: 30.66997 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%