6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazin-3-amine

• ChemBase ID: 806710
• Molecular Formular: C10H16BN3O2
• Molecular Mass: 221.06394
• Monoisotopic Mass: 221.13355717
• SMILES: CC1(C)OB(OC1(C)C)c1nnc(cc1)N
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(nn1)N
• InChI: InChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)7-5-6-8(12)14-13-7/h5-6H,1-4H3,(H2,12,14)
• InChIKey: GFPIHKOJTYBJIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazin-3-amine
• IUPAC Traditional name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazin-3-amine
• Synonyms: 6-AMINOPYRIDAZINE-3-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Acid pKa: 18.484636
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8713595
• LogD (pH = 7.4): 1.8719919
• Log P: 1.872
• Molar Refractivity: 58.7469 cm^3
• Polarizability: 23.371582 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%