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

• ChemBase ID: 811923
• Molecular Formular: C19H32BNO2
• Molecular Mass: 317.27388
• Monoisotopic Mass: 317.25260967
• SMILES: CC1(C)OB(OC1(C)C)c1c(cccc1)CN(C(C)C)C(C)C
• Canonical SMILES: CC(N(C(C)C)Cc1ccccc1B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C19H32BNO2/c1-14(2)21(15(3)4)13-16-11-9-10-12-17(16)20-22-18(5,6)19(7,8)23-20/h9-12,14-15H,13H2,1-8H3
• InChIKey: SRCZSZQIRBACHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yl)({[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
• IUPAC Traditional name: diisopropyl({[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine
• Synonyms: 2-(DIISOPROPYLAMINO)METHYL-PHENYLBORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6818166
• LogD (pH = 7.4): 3.1637187
• Log P: 5.2985
• Molar Refractivity: 92.5906 cm^3
• Polarizability: 38.453293 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%