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

• ChemBase ID: 804398
• Molecular Formular: C12H19BN2O2
• Molecular Mass: 234.10246
• Monoisotopic Mass: 234.15395826
• SMILES: c1(c(ncc(n1)B1OC(C(O1)(C)C)(C)C)C)C
• Canonical SMILES: Cc1ncc(nc1C)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H19BN2O2/c1-8-9(2)15-10(7-14-8)13-16-11(3,4)12(5,6)17-13/h7H,1-6H3
• InChIKey: SDLQHDWNJAWDNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2,3-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 2,3-DIMETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZINE

Database IDs

• CAS Number: 879291-30-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3163967
• LogD (pH = 7.4): 2.3164
• Log P: 2.3164
• Molar Refractivity: 60.8958 cm^3
• Polarizability: 25.744272 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%