benzyl N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

• ChemBase ID: 290540
• Molecular Formular: C19H23BN2O4
• Molecular Mass: 354.20792
• Monoisotopic Mass: 354.17508763
• SMILES: O=C(OCc1ccccc1)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1
• Canonical SMILES: O=C(Nc1ccc(cn1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
• InChI: InChI=1S/C19H23BN2O4/c1-18(2)19(3,4)26-20(25-18)15-10-11-16(21-12-15)22-17(23)24-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,21,22,23)
• InChIKey: ZNTOHEZTSVNZCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
• IUPAC Traditional name: benzyl N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
• Synonyms: Benzyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate

Database IDs

• CAS Number: 1218790-32-9
• PubChem SID: 180676071
• PubChem CID: 53217213

CALCULATED PROPERTIES

• Acid pKa: 12.739345
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 5.014114
• LogD (pH = 7.4): 5.014493
• Log P: 5.0145
• Molar Refractivity: 94.9689 cm^3
• Polarizability: 38.26779 Å^3
• Polar Surface Area: 69.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%