2-N-Boc-8-BPin-1,2,3,4-tetrahydroisoquinoline

• CAS: 893566-73-9
• Catalog Number: ACM893566739
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C20H30BNO4.

What is the molecular weight of the compound?

The molecular weight of the compound is 359.3 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is tert-butyl 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-12-11-14-9-8-10-16(15(14)13-22)21-25-19(4,5)20(6,7)26-21/h8-10H,11-13H2,1-7H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=C3CN(CCC3=CC=C2)C(=O)OC(C)(C)C.

How many hydrogen bond donor counts are there in the compound?

There are 0 hydrogen bond donor counts in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 4 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There are 3 rotatable bond counts in the compound.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 48Ų.