(NZ)-4-methoxy-N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline

• ChemBase ID: 297747
• Molecular Formular: C20H24BNO3
• Molecular Mass: 337.22046
• Monoisotopic Mass: 337.18492403
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)/C=N\c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/N=C\c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C20H24BNO3/c1-19(2)20(3,4)25-21(24-19)16-8-6-15(7-9-16)14-22-17-10-12-18(23-5)13-11-17/h6-14H,1-5H3/b22-14-
• InChIKey: FEZZNCDZVGVBHZ-HMAPJEAMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (NZ)-4-methoxy-N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline
• IUPAC Traditional name: (NZ)-4-methoxy-N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene}aniline
• Synonyms: 1-Methoxyphenyliminomethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene; 4-(4-Methoxyphenyliminomethyl)benzeneboronic acid pinacol ester; 4-(4-甲氧基苯基亚胺甲基)苯硼酸频哪醇酯

Database IDs

• MDL Number: MFCD10567027
• PubChem SID: 180683278
• PubChem CID: 46739070

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.8480077
• LogD (pH = 7.4): 5.848889
• Log P: 5.8489
• Molar Refractivity: 97.5059 cm^3
• Polarizability: 38.66079 Å^3
• Polar Surface Area: 40.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否