4-(N-Propylaminocarbonyl)phenylboronic acid

• CAS: 171922-46-6
• Catalog Number: ACM171922466
• Category: Boronic Acids
• Molecular Weight: 207.03
• Molecular Formula: C₁₀H₁₄BNO₃
• Synonyms: 171922-46-6, 4-(N-Propylaminocarbonyl)phenylboronic acid, 4-(Propylaminocarbonyl)benzeneboronic acid, (4-(Propylcarbamoyl)phenyl)boronic acid, [4-(propylcarbamoyl)phenyl]boronic Acid, ACMC-1C1GN, AC1MCN55, SureCN2316651, CTK0H3511, MolPort-001-759-534, N-PROPYL 4-BORONOBENZAMIDE, 4-(propylcarbamoyl)phenylboronic acid, ANW-22542, AKOS015839624, AB25446, AG-E-21240, OR10583, AK-61607, KB-35120, 4-(N-Propylaminocarbonyl)phenylboronic acid,
• IUPAC Name: [4-(propylcarbamoyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NCCC)(O)O
• InChI Key: KWJCBWYHJKWCRD-UHFFFAOYSA-N
• Melting Point: 210-214ºC
• Density: 1.16g/cm³
• Exact Mass: 207.10700
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Safety Description: 26-36/37/39

Custom Q&A

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

The molecular formula is C10H14BNO3.

When was 4-(N-Propylaminocarbonyl)phenylboronic acid first created in PubChem?

It was first created on July 19, 2005.

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

The molecular weight is 207.04 g/mol.

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

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

What is the InChI of 4-(N-Propylaminocarbonyl)phenylboronic acid?

The InChI is InChI=1S/C10H14BNO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h3-6,14-15H,2,7H2,1H3,(H,12,13).

What is the Canonical SMILES of 4-(N-Propylaminocarbonyl)phenylboronic acid?

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

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

There are 3 hydrogen bond donor counts.

What is the topological polar surface area of 4-(N-Propylaminocarbonyl)phenylboronic acid?

The topological polar surface area is 69.6Ų.

How many rotatable bond counts are there in 4-(N-Propylaminocarbonyl)phenylboronic acid?

There are 4 rotatable bond counts.

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

Yes, it is a canonicalized compound.