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(4-(Naphthalen-1-yl(phenyl)-amino)phenyl)boronic acid - ≥98%, high purity , CAS No.717888-41-0

COA

Grade & Purity:

≥98%

Cas Number: 717888-41-0
Molecular Weight: 339.21
PubChem CID: 23088379

In stock

Item Number

A731008

Grouped product items
SKU	Size	Availability	Price
A731008-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
A731008-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
A731008-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$289.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Triarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines
Direct Parent	Triarylamines
Alternative Parents	Naphthalenes Aniline and substituted anilines Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Tertiary aromatic amine - Naphthalene - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homopolycyclic 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[4-(N-naphthalen-1-ylanilino)phenyl]boronic acid
INCHI	InChI=1S/C22H18BNO2/c25-23(26)18-13-15-20(16-14-18)24(19-9-2-1-3-10-19)22-12-6-8-17-7-4-5-11-21(17)22/h1-16,25-26H
InChIKey	BJNCAGKQHGBUJO-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)(O)O
Isomeric SMILES	B(C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)(O)O
PubChem CID	23088379
Molecular Weight	339.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	339.200 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	339.143 Da
Monoisotopic Mass	339.143 Da
Topological Polar Surface Area	43.700 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	432.000
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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