3-(N,N-dimethylaminomethyl)phenylboronic acid

• CAS: 819849-22-4
• Catalog Number: ACM819849224
• Category: Boronic Acids
• Molecular Weight: 179.023960 [g/mol]
• Molecular Formula: C9H14BNO2
• Synonyms: 3-((DIMETHYLAMINO)METHYL)PHENYLBORONIC ACID, 819849-22-4, SureCN1723229, KSC494E5F, CTK3J4252, ANW-45736, AKOS010796250, QC-4395, AK-50145, KB-232347, W8596, I01-8869
• IUPAC Name: [3-[(dimethylamino)methyl]phenyl]boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)CN(C)C)(O)O
• InChI Key: OFYQEYPITRRCBP-UHFFFAOYSA-N
• Exact Mass: 179.11200
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

The molecular formula is C9H14BNO2.

What is the molecular weight of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

The molecular weight is 179.03 g/mol.

What is the IUPAC name of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

The IUPAC name is [3-[(dimethylamino)methyl]phenyl]boronic acid.

What is the InChI of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

The InChI is InChI=1S/C9H14BNO2/c1-11(2)7-8-4-3-5-9(6-8)10(12)13/h3-6,12-13H,7H2,1-2H3.

What is the InChIKey of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

The InChIKey is OFYQEYPITRRCBP-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

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

What is the CAS number of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

The CAS number is 819849-22-4.

What is the European Community (EC) number of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

The EC number is 840-707-9.

What is the DSSTox Substance ID of 3-(N,N-dimethylaminomethyl)phenylboronic acid?

The DSSTox Substance ID is DTXSID30609343.

Is 3-(N,N-dimethylaminomethyl)phenylboronic acid canonicalized?

Yes, it is canonicalized according to PubChem.