N,N-diethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

• ChemBase ID: 804190
• Molecular Formular: C15H25BN2O2
• Molecular Mass: 276.1822
• Monoisotopic Mass: 276.20090845
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N(CC)CC
• Canonical SMILES: CCN(c1cccc(n1)B1OC(C(O1)(C)C)(C)C)CC
• InChI: InChI=1S/C15H25BN2O2/c1-7-18(8-2)13-11-9-10-12(17-13)16-19-14(3,4)15(5,6)20-16/h9-11H,7-8H2,1-6H3
• InChIKey: KPFLEFOVFUNIGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: N,N-diethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Synonyms: 6-(DIETHYLAMINO)PYRIDINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1096689-45-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9324117
• LogD (pH = 7.4): 4.935066
• Log P: 4.9351
• Molar Refractivity: 78.109 cm^3
• Polarizability: 31.613895 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%