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

• ChemBase ID: 796142
• Molecular Formular: C15H25BN2O3
• Molecular Mass: 292.1816
• Monoisotopic Mass: 292.19582307
• SMILES: C(COc1nccc(c1)B1OC(C(O1)(C)C)(C)C)N(C)C
• Canonical SMILES: CN(CCOc1nccc(c1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C15H25BN2O3/c1-14(2)15(3,4)21-16(20-14)12-7-8-17-13(11-12)19-10-9-18(5)6/h7-8,11H,9-10H2,1-6H3
• InChIKey: VNJOVSVHMWPGNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}ethyl)amine
• Synonyms: N,N-DiMethyl-2-((4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)ethanaMine

Database IDs

• CAS Number: 1346697-29-7

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.012475064
• LogD (pH = 7.4): 1.7867779
• Log P: 3.0135
• Molar Refractivity: 78.352 cm^3
• Polarizability: 32.675247 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%