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

• ChemBase ID: 290580
• Molecular Formular: C15H23BN2O3
• Molecular Mass: 290.16572
• Monoisotopic Mass: 290.18017301
• SMILES: CC1(C)C(C)(C)OB(c2cccnc2N2CCOCC2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccnc1N1CCOCC1
• InChI: InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)12-6-5-7-17-13(12)18-8-10-19-11-9-18/h5-7H,8-11H2,1-4H3
• InChIKey: JLCDXVWUDXAGHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1150561-72-0
• PubChem SID: 180676111
• PubChem CID: 46737991

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.987278
• LogD (pH = 7.4): 3.2052379
• Log P: 3.2089
• Molar Refractivity: 77.3728 cm^3
• Polarizability: 31.574205 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%