4-Allylaminocarbonylphenylboronic acid

Base Information

• Chemical Name: 4-Allylaminocarbonylphenylboronic acid
• CAS No.: 850568-20-6
• Molecular Formula: C10H12BNO3
• Molecular Weight: 205.02
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20397580
• Nikkaji Number: J2.750.928B
• Wikidata: Q82199053
• Mol file: 850568-20-6.mol

Synonyms:850568-20-6;4-Allylaminocarbonylphenylboronic acid;(4-(Allylcarbamoyl)phenyl)boronic acid;[4-(prop-2-enylcarbamoyl)phenyl]boronic Acid;(4-Allylaminocarbonyl)phenylboronic acid;(4-ALLYLAMINOCARBONYL)BENZENEBORONIC ACID;4-(Allylaminocarbonyl)benzeneboronic acid;4-(Allylcarbamoyl)benzeneboronic aci;4-(ALLYLCARBAMOYL)PHENYLBORONIC ACID;{4-[(prop-2-en-1-yl)carbamoyl]phenyl}boronic acid;SCHEMBL15254280;DTXSID20397580;N-Allyl-4-dihydroxyborylbenzamide;WZVRLQMDCATRNQ-UHFFFAOYSA-N;MFCD04115674;(4-(Allylcarbamoyl)phenyl)boronicacid;AKOS015839112;AB20368;AS-55649;CS-0060004;FT-0649091;FT-0688819;W17719;A853723;(4-allylaminocarbonyl)benzeneboronic acid, AldrichCPR

Chemical Property of 4-Allylaminocarbonylphenylboronic acid

Chemical Property:

• Melting Point: 196-200 °C
• Refractive Index: 1.537
• PKA: 8.11±0.16(Predicted)
• PSA: 69.56000
• Density: 1.18 g/cm³
• LogP: -0.32690
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 205.0910234
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

4-Allylaminocarbonylphenylboronicacid ^*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=C(C=C1)C(=O)NCC=C)(O)O