4-((4-Boronophenyl)amino)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-((4-Boronophenyl)amino)-4-oxobutanoic acid
• CAS No.: 480424-95-1
• Molecular Formula: C10H12BNO5
• Molecular Weight: 237.02
• Hs Code.: 2931900090
• European Community (EC) Number: 671-681-5
• DSSTox Substance ID: DTXSID60377705
• Wikidata: Q82167027
• Mol file: 480424-95-1.mol

Synonyms:480424-95-1;4-((4-Boronophenyl)amino)-4-oxobutanoic acid;N-(4-Phenylboronic)succinamic acid;4-Succinamidophenylboronic acid;4-(4-boronoanilino)-4-oxobutanoic acid;3-{[4-(dihydroxyboranyl)phenyl]carbamoyl}propanoic acid;4-(4-boronophenylamino)-4-oxobutanoic acid;SCHEMBL3985952;DTXSID60377705;n-(4-boronophenyl)succinamic acid;VYUCUZOJUHAJLU-UHFFFAOYSA-N;N-[4-Benzeneboronic]succinamic acid;n-[4-phenylboronic]-succinamic acid;MFCD03789260;AKOS015894348;N-(4-PHENYLBORONIC)SUCCINAMICACID;CS-0359981;E78230;4-[(3-carboxypropanoyl)amino]benzeneboronic acid;A827435;N-(4-Phenylboronic)succinamic acid(contains varying amounts of Anhydride)

Chemical Property of 4-((4-Boronophenyl)amino)-4-oxobutanoic acid

Chemical Property:

• Appearance/Colour: Solid
• Melting Point: 165-169 °C
• Refractive Index: 1.58
• PSA: 106.86000
• Density: 1.37 g/cm³
• LogP: -0.75730
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 237.0808526
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

98%min ^*data from raw suppliers

4-[(3-Carboxypropanoyl)amino]benzeneboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)NC(=O)CCC(=O)O)(O)O
• Uses: Reactant for:Construction of combinatorial artificial receptor array (CARA)Preparation of hydroxycoumarins and pyranocoumarins via Pechmann condensation and Pd-catalyzed Suzuki coupling as antitumor agents