4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxamide

• ChemBase ID: 298105
• Molecular Formular: C11H16BNO4
• Molecular Mass: 237.06004
• Monoisotopic Mass: 237.1172384
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1cc(oc1)C(=O)N
• Canonical SMILES: NC(=O)c1occ(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H16BNO4/c1-10(2)11(3,4)17-12(16-10)7-5-8(9(13)14)15-6-7/h5-6H,1-4H3,(H2,13,14)
• InChIKey: KHRCOFLLLYCHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxamide
• IUPAC Traditional name: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxamide
• Synonyms: 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxamide; 2-Carbamoylfuran-4-boronic acid pinacol ester; 2-氨基甲酰基呋喃-4-硼酸频哪酯

Database IDs

• MDL Number: MFCD17215211
• PubChem SID: 180683636
• PubChem CID: 57589990

CALCULATED PROPERTIES

• Acid pKa: 13.195791
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4999
• LogD (pH = 7.4): 1.4998994
• Log P: 1.4999
• Molar Refractivity: 57.1824 cm^3
• Polarizability: 23.758839 Å^3
• Polar Surface Area: 74.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%