n-Butylboronic acid

• CAS: 4426-47-5
• Catalog Number: ACM4426475
• Category: Boronic Acids
• Molecular Weight: 101.94
• Molecular Formula: C4H11BO2
• Synonyms: 1-Butyldihydroxyborane
• IUPAC Name: butylboronic acid
• Canonical SMILES: B(CCCC)(O)O
• InChI: InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
• InChI Key: QPKFVRWIISEVCW-UHFFFAOYSA-N
• Boiling Point: 189.2±23.0 °C
• Melting Point: 90-92 °C (lit.)
• Density: 1.022 g/ml
• Complexity: 38.7
• Covalently-Bonded Unit Count: 1
• EC Number: 224-607-7
• Exact Mass: 102.08521g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 7
• Monoisotopic Mass: 102.08521g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of N-butylboronic acid?

The molecular formula of N-butylboronic acid is C4H11BO2.

What is the molecular weight of N-butylboronic acid?

The molecular weight of N-butylboronic acid is 101.94 g/mol.

What is the IUPAC name of N-butylboronic acid?

The IUPAC name of N-butylboronic acid is butylboronic acid.

What is the InChI of N-butylboronic acid?

The InChI of N-butylboronic acid is InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3.

What is the InChIKey of N-butylboronic acid?

The InChIKey of N-butylboronic acid is QPKFVRWIISEVCW-UHFFFAOYSA-N.

What is the canonical SMILES of N-butylboronic acid?

The canonical SMILES of N-butylboronic acid is B(CCCC)(O)O.

What is the CAS number of N-butylboronic acid?

The CAS number of N-butylboronic acid is 4426-47-5.

What is the European Community (EC) number of N-butylboronic acid?

The European Community (EC) number of N-butylboronic acid is 224-607-7.

What is the ChEMBL ID of N-butylboronic acid?

The ChEMBL ID of N-butylboronic acid is CHEMBL31962.

Is N-butylboronic acid a canonicalized compound?

Yes, N-butylboronic acid is a canonicalized compound.