(E)-(furan-2-ylmethyl)({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine

• ChemBase ID: 297750
• Molecular Formular: C18H22BNO3
• Molecular Mass: 311.18318
• Monoisotopic Mass: 311.16927397
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)/C=N/Cc1ccco1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(cc1)/C=N/Cc1ccco1
• InChI: InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-9-7-14(8-10-15)12-20-13-16-6-5-11-21-16/h5-12H,13H2,1-4H3/b20-12+
• InChIKey: IIAOBOBJQMILAT-UDWIEESQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-(furan-2-ylmethyl)({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine
• IUPAC Traditional name: (E)-(furan-2-ylmethyl)({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine
• Synonyms: 1-[(2-Furylmethyl)iminomethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene; 4-(Furfuryliminomethyl)benzeneboronic acid pinacol ester; 4-(糠基亚胺甲基)苯硼酸频哪醇酯

Database IDs

• MDL Number: MFCD11113038
• PubChem SID: 180683281
• PubChem CID: 46739747

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6562448
• LogD (pH = 7.4): 4.7180524
• Log P: 4.7189
• Molar Refractivity: 86.2544 cm^3
• Polarizability: 34.854637 Å^3
• Polar Surface Area: 43.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%