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

• ChemBase ID: 796452
• Molecular Formular: C15H23BN2O3
• Molecular Mass: 290.16572
• Monoisotopic Mass: 290.18017301
• SMILES: C1COCCN1c1cnc(cc1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(cn1)N1CCOCC1
• InChI: InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)13-6-5-12(11-17-13)18-7-9-19-10-8-18/h5-6,11H,7-10H2,1-4H3
• InChIKey: XXNGNDDZPWTJOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]morpholine
• IUPAC Traditional name: 4-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]morpholine
• Synonyms: 4-(6-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)Morpholine

Database IDs

• CAS Number: 897935-17-0

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2086942
• LogD (pH = 7.4): 3.2088974
• Log P: 3.2089
• Molar Refractivity: 77.3728 cm^3
• Polarizability: 31.577541 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%