4-Aminomethylphenylboronic acid, pinacol ester, HCl

• Catalog Number: ACM850568557-1
• Product Name: 4-Aminomethylphenylboronic acid, pinacol ester, HCl
• CAS: 850568-55-7
• Category: Boronic Esters
• IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride
• Molecular Weight: 269.58g/mol
• Molecular Formula: C13H21BClNO2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN.Cl
• InChI: InChI=1S/C13H20BNO2.ClH/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;/h5-8H,9,15H2,1-4H3;1H
• InChI Key: KPECMJIHZZWTJN-UHFFFAOYSA-N
• Complexity: 257
• Covalently-Bonded Unit Count: 2
• Exact Mass: 269.135387g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 18
• Monoisotopic Mass: 269.135387g/mol
• Rotatable Bond Count: 2