4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine

• ChemBase ID: 804804
• Molecular Formular: C14H22BN3O3
• Molecular Mass: 291.15378
• Monoisotopic Mass: 291.17542198
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)N1CCOCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ncc(nc1)N1CCOCC1
• InChI: InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)11-9-17-12(10-16-11)18-5-7-19-8-6-18/h9-10H,5-8H2,1-4H3
• InChIKey: VIKHOGFHLCSSDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine
• IUPAC Traditional name: 4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine
• Synonyms: 5-MORPHOLINOPYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.5955915
• LogD (pH = 7.4): 2.5956
• Log P: 2.5956
• Molar Refractivity: 75.5294 cm^3
• Polarizability: 30.701153 Å^3
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%