(4-(Isobutylcarbamoyl)phenyl)boronic acid

Base Information

• Chemical Name: (4-(Isobutylcarbamoyl)phenyl)boronic acid
• CAS No.: 850568-13-7
• Molecular Formula: C11H16BNO3
• Molecular Weight: 221.064
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID60378479
• Wikidata: Q82167974
• Mol file: 850568-13-7.mol

Synonyms:850568-13-7;(4-(Isobutylcarbamoyl)phenyl)boronic acid;4-(Isobutylaminocarbonyl)phenylboronic acid;[4-(2-methylpropylcarbamoyl)phenyl]boronic Acid;4-(Isobutylaminocarbonyl)benzeneboronic acid;4-(isobutylcarbamoyl)phenylboronic acid;Boronic acid, [4-[[(2-methylpropyl)amino]carbonyl]phenyl]-;{4-[(2-Methylpropyl)carbamoyl]phenyl}boronic acid;4-BORONO-N-ISOBUTYLBENZAMIDE;(4-(Isobutylcarbamoyl)phenyl)boronicacid;SCHEMBL202451;DTXSID60378479;DUBSEAOPNSRHHN-UHFFFAOYSA-N;MFCD03411955;AKOS015837550;AB14330;4-(isobutylcarbamoyl)-phenyl-boronic acid;BS-24172;CS-0174631;H11699;A853722;(4-{[(2-methylpropyl)amino]carbonyl}phenyl)boronic acid;4-(isobutylaminocarbonyl)phenylboronic acid, AldrichCPR

Chemical Property of (4-(Isobutylcarbamoyl)phenyl)boronic acid

Chemical Property:

• Melting Point: 206-216 °C
• Refractive Index: 1.531
• PKA: 8.12±0.16(Predicted)
• PSA: 69.56000
• Density: 1.13 g/cm³
• LogP: 0.14310
• Storage Temp.: Keep Cold
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 221.1223235
• Heavy Atom Count: 16
• Complexity: 225

Purity/Quality:

98.5% ^*data from raw suppliers

4-(Isobutylaminocarbonyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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