(Z)-tert-butyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine

• ChemBase ID: 297751
• Molecular Formular: C17H26BNO2
• Molecular Mass: 287.20484
• Monoisotopic Mass: 287.20565948
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)/C=N\C(C)(C)C
• Canonical SMILES: CC(/N=C\c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(C)C
• InChI: InChI=1S/C17H26BNO2/c1-15(2,3)19-12-13-8-10-14(11-9-13)18-20-16(4,5)17(6,7)21-18/h8-12H,1-7H3/b19-12-
• InChIKey: AEUHECHOAUPUBY-UNOMPAQXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-tert-butyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine
• IUPAC Traditional name: (Z)-tert-butyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene})amine
• Synonyms: 4-tert-Butyliminomethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene; 4-(tert-Butyliminomethyl)benzeneboronic acid pinacol ester; 4-(4-叔丁基亚胺甲基)苯硼酸频哪醇酯

Database IDs

• CAS Number: 1218790-47-6
• MDL Number: MFCD11113039
• PubChem SID: 180683282
• PubChem CID: 46739763

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4705873
• LogD (pH = 7.4): 4.22197
• Log P: 4.8277
• Molar Refractivity: 83.0565 cm^3
• Polarizability: 33.944057 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否