4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid

• CAS: 913835-34-4
• Catalog Number: ACM913835344
• Category: Boronic Acids
• Molecular Weight: 251.08662
• Molecular Formula: C₁₂H₁₈BNO₄
• Synonyms: 913835-34-4, 4-(Diethylcarbamoyl)-2-methoxybenzeneboronic acid, (4-(Diethylcarbamoyl)-2-methoxyphenyl)boronic acid, [4-(Diethylcarbamoyl)-2-methoxy]phenylboronic acid, CTK3I6398, MolPort-001-767-795, ANW-42175, OR3776, AKOS015893863, N,N-Diethyl 4-borono-3-methoxybenzamide, AK-92835, BD230695, KB-07524, FT-0688838, B-4859, 4-(diethylcarbamoyl)-2-methoxyphenylboronic acid, [4-(Diethyl carbamoyl)-2-methoxy]phenylboronic acid, I04-6366
• IUPAC Name: [4-(diethylcarbamoyl)-2-methoxyphenyl]boronic acid
• Canonical SMILES: B(C1=C(C=C(C=C1)C(=O)N(CC)CC)OC)(O)O
• InChI Key: VKKSSTUUJZQAQY-UHFFFAOYSA-N
• Boiling Point: 477ºC at 760 mmHg
• Flash Point: 242.3ºC
• Density: 1.16g/cm³
• Exact Mass: 251.13300
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid?

The molecular formula is C12H18BNO4.

What is the molecular weight of 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid?

The molecular weight is 251.09 g/mol.

What is the IUPAC name of 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid?

The IUPAC name is [4-(diethylcarbamoyl)-2-methoxyphenyl]boronic acid.

What is the InChI of 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid?

The InChI is InChI=1S/C12H18BNO4/c1-4-14(5-2)12(15)9-6-7-10(13(16)17)11(8-9)18-3/h6-8,16-17H,4-5H2,1-3H3.

What is the InChIKey of 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid?

The InChIKey is VKKSSTUUJZQAQY-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid?

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

What is the CAS number of 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid?

The CAS number is 913835-34-4.

What is the DSSTox Substance ID of 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid?

The DSSTox Substance ID is DTXSID50657063.

Is 4-(Diethylcarbamoyl)-2-methoxyphenylboronic acid canonicalized?

Yes, it is canonicalized according to PubChem.