2,6-dimethyl-4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

• ChemBase ID: 802068
• Molecular Formular: C17H27BN2O3
• Molecular Mass: 318.21888
• Monoisotopic Mass: 318.21147313
• SMILES: C1C(OC(CN1c1nc(ccc1)B1OC(C(O1)(C)C)(C)C)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1cccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C17H27BN2O3/c1-12-10-20(11-13(2)21-12)15-9-7-8-14(19-15)18-22-16(3,4)17(5,6)23-18/h7-9,12-13H,10-11H2,1-6H3
• InChIKey: RMQWWMMVMSNBNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
• Synonyms: 2,6-DIMETHYL-4-[6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL]MORPHOLINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.7313433
• LogD (pH = 7.4): 4.73367
• Log P: 4.7337
• Molar Refractivity: 86.5239 cm^3
• Polarizability: 35.258434 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%