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

• ChemBase ID: 796745
• Molecular Formular: C16H27BN2O3
• Molecular Mass: 306.20818
• Monoisotopic Mass: 306.21147313
• SMILES: C(CCOc1nccc(c1)B1OC(C(O1)(C)C)(C)C)N(C)C
• Canonical SMILES: CN(CCCOc1nccc(c1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C16H27BN2O3/c1-15(2)16(3,4)22-17(21-15)13-8-9-18-14(12-13)20-11-7-10-19(5)6/h8-9,12H,7,10-11H2,1-6H3
• InChIKey: GSYHMNJGRZPKFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346697-33-3

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.42154172
• LogD (pH = 7.4): 1.2076157
• Log P: 3.0656
• Molar Refractivity: 83.2174 cm^3
• Polarizability: 34.517284 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%