6-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

• ChemBase ID: 285220
• Molecular Formular: C12H19BN2O2
• Molecular Mass: 234.10246
• Monoisotopic Mass: 234.15395826
• SMILES: B1(c2c(nc(cc2)N)C)OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(nc1C)N
• InChI: InChI=1S/C12H19BN2O2/c1-8-9(6-7-10(14)15-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3,(H2,14,15)
• InChIKey: GSUFLCZLNBGBLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: 6-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Synonyms: 6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Database IDs

• CAS Number: 1220219-97-5
• MDL Number: MFCD13182009
• PubChem SID: 180670751
• PubChem CID: 53398385

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.56624
• LogD (pH = 7.4): 2.6117728
• Log P: 2.6745
• Molar Refractivity: 63.1616 cm^3
• Polarizability: 26.00582 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 1.068

Product Information

• Purity: 95%; 95+%