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

• ChemBase ID: 810513
• Molecular Formular: C11H17BN2O2
• Molecular Mass: 220.07588
• Monoisotopic Mass: 220.13830819
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)N
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)N
• InChI: InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-9(13)14-8/h5-7H,1-4H3,(H2,13,14)
• InChIKey: BXIJBADVDMNGHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1032758-22-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.196213
• LogD (pH = 7.4): 3.2024202
• Log P: 3.2025
• Molar Refractivity: 58.8836 cm^3
• Polarizability: 24.245693 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%