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4-(Di-p-tolylamino)phenylboronic acid - >97%(HPLC), high purity , CAS No.654067-65-9
Discover 4-(Di-p-tolylamino)phenylboronic acid by Aladdin Scientific in >97%(HPLC) for only $983.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
654067-65-9 | [4-[Bis(4-methylphenyl)amino]phenyl]boronic acid | (4-(di-p-tolylamino)phenyl)boronic acid | [4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]boronic acid | Boronic acid, B-[4-[bis(4-methylphenyl)amino]phenyl]- | {4-[Bis(4-methylphenyl)amino]phenyl}boron
Specifications & Purity
≥97%(HPLC)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines
Direct Parent
Triarylamines
Alternative Parents
Aniline and substituted anilines Aminotoluenes Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tertiary aromatic amine - Aminotoluene - Aniline or substituted anilines - Toluene - Benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]boronic acid
INCHI
InChI=1S/C20H20BNO2/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(8-14-20)21(23)24/h3-14,23-24H,1-2H3
InChIKey
XDARIDUNZZQZBQ-UHFFFAOYSA-N
Smiles
B(C1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)(O)O
Isomeric SMILES
B(C1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)(O)O
Molecular Weight
317.19
Reaxy-Rn
14303382
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14303382&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
317.200 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
317.159 Da
Monoisotopic Mass
317.159 Da
Topological Polar Surface Area
43.700 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
346.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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