4-(N,N-dimethylaminocarbonyl)phenylboronic acid

• CAS: 405520-68-5
• Catalog Number: ACM405520685
• Category: Boro-Amino Acids
• Molecular Weight: 193.0075
• Molecular Formula: C9H12 B N O3
• Synonyms: D2816G1, 4-(N,N-Dimethylaminocarbonyl)-phenylboronic acid, 405520-68-5
• IUPAC Name: [4-(dimethylcarbamoyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)N(C)C)(O)O
• InChI Key: QJYYVSIRDJVQJW-UHFFFAOYSA-N
• Boiling Point: 407.4ºC at 760 mmHg
• Melting Point: 130-136ºC
• Flash Point: 200.2ºC
• Density: 1.2 g/cm³
• Exact Mass: 193.09100
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 4-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The molecular formula is C9H12BNO3.

What are some synonyms for 4-(N,N-dimethylaminocarbonyl)phenylboronic acid?

Some synonyms include 4-(Dimethylcarbamoyl)phenylboronic acid, and [4-(dimethylcarbamoyl)phenyl]boronic acid.

What is the molecular weight of 4-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The molecular weight is 193.01 g/mol.

When was 4-(N,N-dimethylaminocarbonyl)phenylboronic acid created and last modified?

It was created on 2005-09-08 and last modified on 2023-12-02.

What is the IUPAC name of 4-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The IUPAC name is [4-(dimethylcarbamoyl)phenyl]boronic acid.

What is the Canonical SMILES notation for 4-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The Canonical SMILES is B(C1=CC=C(C=C1)C(=O)N(C)C)(O)O.

How many hydrogen bond donor counts are there in 4-(N,N-dimethylaminocarbonyl)phenylboronic acid?

There are 2 hydrogen bond donor counts.

What is the heavy atom count in 4-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The heavy atom count is 14.

Is 4-(N,N-dimethylaminocarbonyl)phenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

What is the InChIKey for 4-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The InChIKey is QJYYVSIRDJVQJW-UHFFFAOYSA-N.