(2-Aminophenyl)boronic acid pinacol ester

• Catalog Number: ACM191171558
• Product Name: (2-Aminophenyl)boronic acid pinacol ester
• CAS: 191171-55-8
• Category: Boronic Esters
• Synonyms: 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE;2-AMINOPHENYLBORONIC ACID, PINACOL CYCLIC ESTER;2-AMINOPHENYLBORONIC ACID, PINACOL ESTER;2-AMINOBENZENEBORONIC ACID PINACOL ESTER;2-Aminobenzeneboronic acid pinacol cyclic ester;2-Aminophenylboronic a
• IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• Molecular Weight: 219.09g/mol
• Molecular Formula: C12H18BNO2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N
• InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
• InChI Key: ZCJRWQDZPIIYLM-UHFFFAOYSA-N
• Complexity: 252
• Covalently-Bonded Unit Count: 1
• Exact Mass: 219.143059g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 16
• Monoisotopic Mass: 219.143059g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of (2-Aminophenyl)boronic acid pinacol ester?

The molecular formula is C12H18BNO2.

What is the molecular weight of (2-Aminophenyl)boronic acid pinacol ester?

The molecular weight is 219.09 g/mol.

What is the IUPAC name of (2-Aminophenyl)boronic acid pinacol ester?

The IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the InChI of (2-Aminophenyl)boronic acid pinacol ester?

The InChI is InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3.

What is the InChIKey of (2-Aminophenyl)boronic acid pinacol ester?

The InChIKey is ZCJRWQDZPIIYLM-UHFFFAOYSA-N.

What is the canonical SMILES of (2-Aminophenyl)boronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N.

What is the CAS number of (2-Aminophenyl)boronic acid pinacol ester?

The CAS number is 191171-55-8.

What is the EC number of (2-Aminophenyl)boronic acid pinacol ester?

The EC number is 626-344-7.

What is the DSSTox Substance ID of (2-Aminophenyl)boronic acid pinacol ester?

The DSSTox Substance ID is DTXSID50370422.

Is (2-Aminophenyl)boronic acid pinacol ester a canonicalized compound?

Yes, it is canonicalized.