N,N-diethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine

• ChemBase ID: 804214
• Molecular Formular: C14H24BN3O2
• Molecular Mass: 277.17026
• Monoisotopic Mass: 277.19615742
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)N(CC)CC
• Canonical SMILES: CCN(c1cnc(cn1)B1OC(C(O1)(C)C)(C)C)CC
• InChI: InChI=1S/C14H24BN3O2/c1-7-18(8-2)12-10-16-11(9-17-12)15-19-13(3,4)14(5,6)20-15/h9-10H,7-8H2,1-6H3
• InChIKey: FGMNDGMJDBAKRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• IUPAC Traditional name: N,N-diethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• Synonyms: 5-(DIETHYLAMINO)PYRAZINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.6231904
• LogD (pH = 7.4): 3.6232
• Log P: 3.6232
• Molar Refractivity: 75.9521 cm^3
• Polarizability: 30.71933 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%