2-(Tert-butylcarbonylamino)phenylboronic acid

• Catalog Number: ACM146140956
• Product Name: 2-(Tert-butylcarbonylamino)phenylboronic acid
• CAS: 146140-95-6
• Category: Boro-Amino Acids
• Synonyms: BM135, 2-(tert-Butylcarbonylamino)phenylboronic acid, 146140-95-6
• IUPAC Name: [2-(2,2-dimethylpropanoylamino)phenyl]boronic acid
• Molecular Weight: 221.06
• Molecular Formula: C₁₁H₁₆BNO₃
• Canonical SMILES: B(C1=CC=CC=C1NC(=O)C(C)(C)C)(O)O
• InChI Key: MXRAJVMTCAUABO-UHFFFAOYSA-N
• Density: 1.13g/cm³
• Exact Mass: 221.12200
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Safety Description: S26

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C11H16BNO3.

What is the molecular weight of the compound?

The molecular weight is 221.06 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is [2-(2,2-dimethylpropanoylamino)phenyl]boronic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C11H16BNO3/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14).

What is the InChIKey of the compound?

The InChIKey is MXRAJVMTCAUABO-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B(C1=CC=CC=C1NC(=O)C(C)(C)C)(O)O.

What is the CAS number of the compound?

The CAS number is 146140-95-6.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number is 681-090-4.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID50400637.

What is the topological polar surface area of the compound?

The topological polar surface area is 69.6Ų.