2-ethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

• ChemBase ID: 804812
• Molecular Formular: C12H19BN2O3
• Molecular Mass: 250.10186
• Monoisotopic Mass: 250.14887288
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)OCC
• Canonical SMILES: CCOc1cnc(cn1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H19BN2O3/c1-6-16-10-8-14-9(7-15-10)13-17-11(2,3)12(4,5)18-13/h7-8H,6H2,1-5H3
• InChIKey: MAEIIGLRQYXLMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-ethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 5-ETHOXYPYRAZINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1186041-95-1

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7636
• LogD (pH = 7.4): 2.7636
• Log P: 2.7636
• Molar Refractivity: 63.2381 cm^3
• Polarizability: 26.589382 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%