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

• ChemBase ID: 78093
• Molecular Formular: C11H17BN2O2
• Molecular Mass: 220.07588
• Monoisotopic Mass: 220.13830819
• SMILES: B1(c2cc(ncc2)N)OC(C(O1)(C)C)(C)C
• Canonical SMILES: Nc1nccc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3,(H2,13,14)
• InChIKey: DCYKWKYBNWRLLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Synonyms: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine; 2-Amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-Aminopyridine-4-boronic acid, pinacol ester; 2-AMINOPYRIDINE-4-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1195995-72-2
• MDL Number: MFCD09607735
• PubChem SID: 162042917
• PubChem CID: 45785707

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.483119
• LogD (pH = 7.4): 2.5036318
• Log P: 2.5039
• Molar Refractivity: 58.5701 cm^3
• Polarizability: 24.242012 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161-162°C

Safety Information

• Storage Warning: Irritant/Air Sensitive/Store under Argon/Store at -20°C

Product Information

• Purity: 98%