3-Aminophenylboronic acid pinacol ester

• CAS: 210907-84-9
• Catalog Number: ACM210907849
• Category: Other
• Molecular Weight: 219.09g/mol
• Molecular Formula: C12H18BNO2
• Synonyms: 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE;3-AMINOPHENYLBORONIC ACID, PINACOL CYCLIC ESTER;3-AMINOPHENYLBORONIC ACID PINACOL ESTER;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-ANILINE 97%;3-Aminobenzeneboronic acid pinacol ester, 97%;3-(4,4
• IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N
• InChI: InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,14H2,1-4H3
• InChI Key: YMXIIVIQLHYKOT-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 3-Aminophenylboronic acid pinacol ester?

The molecular formula is C12H18BNO2.

What is the molecular weight of 3-Aminophenylboronic acid pinacol ester?

The molecular weight is 219.09 g/mol.

What is the IUPAC name of 3-Aminophenylboronic acid pinacol ester?

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

What is the InChI of 3-Aminophenylboronic acid pinacol ester?

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

What is the InChIKey of 3-Aminophenylboronic acid pinacol ester?

The InChIKey is YMXIIVIQLHYKOT-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Aminophenylboronic acid pinacol ester?

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

What is the CAS number of 3-Aminophenylboronic acid pinacol ester?

The CAS number is 210907-84-9.

What is the EC number of 3-Aminophenylboronic acid pinacol ester?

The EC number is 626-895-3.

What is the DSSTox Substance ID of 3-Aminophenylboronic acid pinacol ester?

The DSSTox Substance ID is DTXSID30370425.

What is the topological polar surface area of 3-Aminophenylboronic acid pinacol ester?

The topological polar surface area is 44.5Ų.