3-(N-Benzylaminocarbonyl)phenylboronic acid

Base Information

• Chemical Name: 3-(N-Benzylaminocarbonyl)phenylboronic acid
• CAS No.: 625470-96-4
• Molecular Formula: C14H14BNO3
• Molecular Weight: 255.08
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID80390774
• Wikidata: Q72440573
• Mol file: 625470-96-4.mol

Synonyms:625470-96-4;3-(N-BENZYLAMINOCARBONYL)PHENYLBORONIC ACID;(3-(Benzylcarbamoyl)phenyl)boronic acid;3-(benzylcarbamoyl)phenylboronic acid;[3-(benzylcarbamoyl)phenyl]boronic Acid;3-[(Benzylamino)carbonyl]phenylboronic acid;3-((benzylamino)carbonyl)phenylboronic acid;3-(Benzylcarbamoyl)benzeneboronic acid;C14H14BNO3;N-BENZYL 3-BORONOBENZAMIDE;SCHEMBL177584;Boronic acid,B-[3-[[(phenylmethyl)amino]carbonyl]phenyl]-;DTXSID80390774;MFCD04115688;AKOS015839368;(3-(Benzylcarbamoyl)phenyl)boronicacid;AB20402;AM87850;AS-65696;BP-11438;FT-0732969;I12659;A853718;3-[(Benzylamino)carbonyl]phenylboronic acid, AldrichCPR

Chemical Property of 3-(N-Benzylaminocarbonyl)phenylboronic acid

Chemical Property:

• Appearance/Colour: white crystal powder
• Melting Point: 224-230 °C
• Refractive Index: 1.611
• PKA: 7.86±0.10(Predicted)
• PSA: 69.56000
• Density: 1.24 g/cm³
• LogP: 0.68730
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 255.1066735
• Heavy Atom Count: 19
• Complexity: 292

Purity/Quality:

98% ^*data from raw suppliers

3-(N-Benzylaminocarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)NCC2=CC=CC=C2)(O)O