4-(N,N-Dipropylaminocarbonyl)phenylboronic acid

CAS

850568-32-0

Catalog Number

ACM850568320

Category

Boronic Acids

Molecular Weight

249.11

Molecular Formula

C₁₃H₂₀BNO₃

MSDS COA Spec Sheet

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Specification

Synonyms

4-(Dipropylcarbamoyl)phenylboronic acid, 850568-32-0, 4-(N,N-Dipropylaminocarbonyl)benzeneboronic acid, ACMC-209q1s, SureCN12538103, CTK5F3959, MolPort-001-768-459, ANW-38030, OR4088, AKOS015839629, AB26548, AG-H-41268, 4-(Dipropylcarbamoyl)phenylboronic acid,, (4-(Dipropylcarbamoyl)phenyl)boronic acid, AK-61975, KB-34958, X2418, B-5539, 4-(DI-N-PROPYLCARBAMOYL)BENZENEBORONIC ACID, I04-2203

IUPAC Name

[4-(dipropylcarbamoyl)phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C(=O)N(CCC)CCC)(O)O

InChI Key

YMGIJQOMEWJVKA-UHFFFAOYSA-N

Boiling Point

442.7ºC at 760 mmHg

Melting Point

120-124ºC

Flash Point

221.6ºC

Density

1.1g/cm³

Exact Mass

249.15400

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

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

The molecular formula of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid is C13H20BNO3.

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

The molecular weight of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid is 249.12 g/mol.

When was 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid first created?

4-(N,N-Dipropylaminocarbonyl)phenylboronic acid was first created on July 21, 2009.

What is the InChIKey of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid?

The InChIKey of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid is YMGIJQOMEWJVKA-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid have?

4-(N,N-Dipropylaminocarbonyl)phenylboronic acid has 2 hydrogen bond donor counts.

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

The topological polar surface area of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid is 60.8 Å².

Is 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid considered canonicalized?

Yes, 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid is considered canonicalized.

What is the exact mass of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid?

The exact mass of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid is 249.1536237 g/mol.

How many rotatable bond counts does 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid have?

4-(N,N-Dipropylaminocarbonyl)phenylboronic acid has 6 rotatable bond counts.

What is the complexity value of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid?

The complexity value of 4-(N,N-Dipropylaminocarbonyl)phenylboronic acid is 247.