4-(N,N-dimethylamino)phenylboronic acid, pinacol ester

• CAS: 171364-78-6
• Catalog Number: ACM171364786
• Category: Boronic Esters
• Molecular Weight: 247.14
• Molecular Formula: C₁₄H₂₂BNO₂
• Synonyms: N,N-DIMETHYL[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]AMINE;DIMETHYL[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]AMINE;4-(N,N-DIMETHYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER;N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-y
• IUPAC Name: N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C)C
• InChI Key: DGMLJJIUOFKPKB-UHFFFAOYSA-N
• Boiling Point: 347.1ºC at 760 mmHg
• Melting Point: 122-123ºC
• Flash Point: 163.7ºC
• Density: 1.01g/cm³
• Exact Mass: 247.17400
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester?

The molecular formula is C14H22BNO2.

What is the molecular weight of 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester?

The molecular weight is 247.14 g/mol.

What is the IUPAC name of 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester?

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the InChIKey of 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester?

DGMLJJIUOFKPKB-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester have?

It has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester?

The topological polar surface area is 21.7Ų.

Does 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester have any defined atom stereocenter count?

No, it does not have any defined atom stereocenter count.

What is the CAS number of 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester?

The CAS number is 171364-78-6.

Is 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester considered a canonicalized compound?

Yes, it is considered canonicalized.

What is the exact mass of 4-(N,N-dimethylamino)phenylboronic acid, pinacol ester?

The exact mass is 247.1743591 g/mol.