4-(Succinylamino)phenylboronic acid pinacol ester

• CAS: 480424-98-4
• Catalog Number: ACM480424984
• Category: Boronic Acids
• Molecular Weight: 319.16
• Molecular Formula: C₁₆H₂₂BNO₅
• Synonyms: 578762_ALDRICH, BM066, ST5405616, 4-(Succinylamino)phenylboronic acid pinacol ester, 4-(3-Carboxypropionylamino)phenylboronic acid pinacol ester, N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]succinamic acid, 480424-98-4
• IUPAC Name: 4-oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)CCC(=O)O
• InChI Key: GZCXOZHMQNWRGM-UHFFFAOYSA-N
• Boiling Point: 539.7ºC at 760mmHg
• Melting Point: 175-178ºC(lit.)
• Flash Point: 280.2ºC
• Density: 1.18g/cm³
• Appearance: white crystalline powder
• Exact Mass: 319.15900
• Hazard Statements: Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Safety Description: S26-S36

Custom Q&A

What is the molecular formula of 4-(Succinylamino)phenylboronic acid pinacol ester?

The molecular formula is C16H22BNO5.

What are some synonyms for 4-(Succinylamino)phenylboronic acid pinacol ester?

Some synonyms include 4-Oxo-4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)butanoic acid and N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]succinamic acid.

What is the molecular weight of 4-(Succinylamino)phenylboronic acid pinacol ester?

The molecular weight is 319.2 g/mol.

When was 4-(Succinylamino)phenylboronic acid pinacol ester created and modified in PubChem?

It was created on July 19, 2005, and modified on December 2, 2023.

What is the InChIKey for 4-(Succinylamino)phenylboronic acid pinacol ester?

The InChIKey is GZCXOZHMQNWRGM-UHFFFAOYSA-N.

How many hydrogen bond donor count does 4-(Succinylamino)phenylboronic acid pinacol ester have?

It has 2 hydrogen bond donor counts.

What is the exact mass of 4-(Succinylamino)phenylboronic acid pinacol ester?

The exact mass is 319.1591030 g/mol.

How many rotatable bond counts does 4-(Succinylamino)phenylboronic acid pinacol ester have?

It has 5 rotatable bond counts.

What is the topological polar surface area of 4-(Succinylamino)phenylboronic acid pinacol ester?

The topological polar surface area is 84.9Ų.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.