4-(Cyclopropylaminocarbonyl)phenylboronic acid pinacol ester

• Catalog Number: ACM827614686
• Product Name: 4-(Cyclopropylaminocarbonyl)phenylboronic acid pinacol ester
• CAS: 827614-68-6
• Category: Other
• Synonyms: 827614-68-6, N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-(Cyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 4-(cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, 4-(n-cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester, SureCN103893, AC1MBX72, AMTB353, CTK8B7494, MolPort-000-153-800, ANW-57476, AKOS015960084, AB21942, AK-84289, KB-34911, B-5485, A840434, N-(Cyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-, 4-(Cyclopropylaminocarbonyl)phenylboronic acid pinacol ester, 4-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester,
• IUPAC Name: N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• Molecular Weight: 287.16
• Molecular Formula: C₁₆H₂₂BNO₃
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3CC3
• InChI Key: PXTNJXLWXIJJIM-UHFFFAOYSA-N
• Boiling Point: 444.1ºC at 760 mmHg
• Melting Point: 212-214ºC
• Flash Point: 222.4ºC
• Density: 1.11g/cm³
• Exact Mass: 287.16900
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C16H22BNO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 287.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-5-11(6-8-12)14(19)18-13-9-10-13/h5-8,13H,9-10H2,1-4H3,(H,18,19).

What is the InChIKey of the compound?

The InChIKey of the compound is PXTNJXLWXIJJIM-UHFFFAOYSA-N.

What is the CAS number of the compound?

The CAS number of the compound is 827614-68-6.

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

The European Community (EC) number of the compound is 675-015-4.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID10374128.

What is the formal charge of the compound?

The formal charge of the compound is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.