4-((N-boc-amino)methyl)phenylboronic acid pinacol ester

• CAS: 330794-35-9
• Catalog Number: ACM330794359
• Category: Boronic Esters
• Molecular Weight: 333.23
• Molecular Formula: C₁₈H₂₈BNO₄

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C18H28BNO4.

What is the molecular weight of the compound?

The molecular weight is 333.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate.

What is the InChI of the compound?

The InChI is InChI=1S/C18H28BNO4/c1-16(2,3)22-15(21)20-12-13-8-10-14(11-9-13)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3,(H,20,21).

What is the InChIKey of the compound?

The InChIKey is CUDCEJRRWNIPDL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C.

What is the CAS number of the compound?

The CAS number is 330794-35-9.

What is the European Community (EC) number of the compound?

The EC number is 690-900-5.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID20392277.

Is the compound canonicalized?

Yes, the compound is canonicalized.