2-propoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 290777
• Molecular Formular: C14H22BNO3
• Molecular Mass: 263.14038
• Monoisotopic Mass: 263.16927397
• SMILES: CC1(C)C(C)(C)OB(c2cccnc2OCCC)O1
• Canonical SMILES: CCCOc1ncccc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H22BNO3/c1-6-10-17-12-11(8-7-9-16-12)15-18-13(2,3)14(4,5)19-15/h7-9H,6,10H2,1-5H3
• InChIKey: NEKFTDDYHKYVSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-propoxy-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 2-Propoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-n-Propoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-n-Propoxypyridine-3-boronic acid pinacol ester; 2-正丙氧基吡啶-3-硼酸频哪醇酯

Database IDs

• CAS Number: 1073371-87-5
• MDL Number: MFCD07781169
• PubChem SID: 180676308
• PubChem CID: 24208791

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.845402
• LogD (pH = 7.4): 3.8454988
• Log P: 3.8455
• Molar Refractivity: 69.6055 cm^3
• Polarizability: 29.307613 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%