dimethyl({2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine

• ChemBase ID: 75450
• Molecular Formular: C16H26BNO3
• Molecular Mass: 291.19354
• Monoisotopic Mass: 291.2005741
• SMILES: O1C(C(C)(C)OB1c1ccc(cc1)OCCN(C)C)(C)C
• Canonical SMILES: CN(CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)13-7-9-14(10-8-13)19-12-11-18(5)6/h7-10H,11-12H2,1-6H3
• InChIKey: JUVPIBHZWGVRFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine
• IUPAC Traditional name: dimethyl({2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine
• Synonyms: dimethyl({2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl})amine; N,N-Dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethanamine; N,N-Dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethylamine; 2-{4-[2-(Dimethylamino)ethoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-[2-(Dimethylamino)ethoxy]benzeneboronic acid, pinacol ester 98%

Database IDs

• CAS Number: 873078-93-4
• MDL Number: MFCD09475840
• PubChem SID: 162040368
• PubChem CID: 42598924

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.50543225
• LogD (pH = 7.4): 2.290199
• Log P: 3.6268
• Molar Refractivity: 80.1954 cm^3
• Polarizability: 33.572628 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C; 36-38°C
• Hydrophobicity(logP): 3.688

Safety Information

• Storage Warning: Irritant/Keep Cold/Store under Argon

Product Information

• Purity: 95%; 95+%