4-(Dimethylamino)phenylboronic acid

• CAS: 28611-39-4
• Catalog Number: ACM28611394
• Category: Boro-Amino Acids
• Molecular Weight: 165
• Molecular Formula: C₈H₁₂BNO₂
• Synonyms: 483532_ALDRICH, 4-(Dimethylamino)phenylboronic acid, BM351, 4-(N,N-Dimethylamino)phenylboronic acid, ST5405984, TL8002262, 28611-39-4
• IUPAC Name: [4-(dimethylamino)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)N(C)C)(O)O
• InChI Key: RIIPFHVHLXPMHQ-UHFFFAOYSA-N
• Boiling Point: 329.9ºC at 760 mmHg
• Melting Point: 227ºC
• Flash Point: 153.3ºC
• Density: 1.12 g/cm³
• Appearance: white to green-grey or blue-grey crystalline
• Exact Mass: 165.09600
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Safety Description: S26-S37/39
• WGK Germany: 3

Custom Q&A

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

The molecular formula is C8H12BNO2.

When was this compound created and last modified?

It was created on 2005-07-19 and last modified on 2023-12-02.

What is the IUPAC Name of this compound?

The IUPAC Name is [4-(dimethylamino)phenyl]boronic acid.

What is the Canonical SMILES of this compound?

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

What is the InChIKey of this compound?

The InChIKey is RIIPFHVHLXPMHQ-UHFFFAOYSA-N.

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

The molecular weight is 165.00 g/mol.

How many Hydrogen Bond Donor Count does this compound have?

It has 2 Hydrogen Bond Donor Counts.

What is the Topological Polar Surface Area of this compound?

The Topological Polar Surface Area is 43.7Ų.

How many Rotatable Bond Counts does this compound have?

It has 2 Rotatable Bond Counts.

Is the Compound Is Canonicalized?

Yes, the compound is canonicalized according to PubChem.