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

• ChemBase ID: 804189
• Molecular Formular: C13H21BN2O2
• Molecular Mass: 248.12904
• Monoisotopic Mass: 248.16960832
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N(C)C
• Canonical SMILES: CN(c1cccc(n1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)10-8-7-9-11(15-10)16(5)6/h7-9H,1-6H3
• InChIKey: QVOVJYWZHFIBHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.246997
• LogD (pH = 7.4): 4.250061
• Log P: 4.2501
• Molar Refractivity: 68.6118 cm^3
• Polarizability: 27.92824 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%