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

• ChemBase ID: 813363
• Molecular Formular: C16H24BNO3
• Molecular Mass: 289.17766
• Monoisotopic Mass: 289.18492403
• SMILES: CC1(C)OB(OC1(C)C)c1c(cccc1)N1CCOCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccccc1N1CCOCC1
• InChI: InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)13-7-5-6-8-14(13)18-9-11-19-12-10-18/h5-8H,9-12H2,1-4H3
• InChIKey: SDDCPMOHGICXID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
• IUPAC Traditional name: 4-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
• Synonyms: 2-(MORPHOLINO)PHENYLBORONIC ACID PINACOLATE

Database IDs

• CAS Number: 1050505-83-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8221998
• LogD (pH = 7.4): 3.8222
• Log P: 3.8222
• Molar Refractivity: 79.2162 cm^3
• Polarizability: 32.46782 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%