4-(Dibenzylamino)-2,6-dimethylphenylboronic acid

• CAS: 1451391-44-8
• Catalog Number: ACM1451391448
• Category: Boronic Acids

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is [4-(dibenzylamino)-2,6-dimethylphenyl]boronic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 345.2 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H24BNO2/c1-17-13-21(14-18(2)22(17)23(25)26)24(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-14,25-26H,15-16H2,1-2H3.

What is the InChIKey of the compound?

The InChIKey of the compound is UOILFPHQODZYGP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=C(C=C(C=C1C)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 1451391-44-8.

What is the hydrogen bond donor count of the compound?

The compound has 2 hydrogen bond donors.

What is the hydrogen bond acceptor count of the compound?

The compound has 3 hydrogen bond acceptors.

How many rotatable bonds does the compound have?

The compound has 6 rotatable bonds.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 43.7Ų.