(2-methoxyethyl)({[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine

• ChemBase ID: 290264
• Molecular Formular: C16H26BNO3
• Molecular Mass: 291.19354
• Monoisotopic Mass: 291.2005741
• SMILES: COCCNCc1ccccc1B1OC(C)(C)C(C)(C)O1
• Canonical SMILES: COCCNCc1ccccc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)14-9-7-6-8-13(14)12-18-10-11-19-5/h6-9,18H,10-12H2,1-5H3
• InChIKey: RWIHUPXIAMWITH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)({[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
• IUPAC Traditional name: (2-methoxyethyl)({[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
• Synonyms: 2-Methoxy-N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine

Database IDs

• CAS Number: 1150271-51-4
• PubChem SID: 180675795
• PubChem CID: 46739235

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.13757372
• LogD (pH = 7.4): 1.8505473
• Log P: 3.2611
• Molar Refractivity: 80.0046 cm^3
• Polarizability: 33.585503 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%