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3-(3-Pyridyl)aniline Dihydrochloride - ≥97%, high purity , CAS No.1049789-92-5

COA

Grade & Purity:

≥97%

Cas Number: 1049789-92-5
Molecular Weight: 243.13
PubChem CID: 21146183

In stock

Item Number

A729968

Grouped product items
SKU	Size	Availability	Price
A729968-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$170.90
A729968-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$448.90
A729968-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,295.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Phenylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	Aniline and substituted anilines Heteroaromatic compounds Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-phenylpyridine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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	3-pyridin-3-ylaniline;dihydrochloride
INCHI	InChI=1S/C11H10N2.2ClH/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10;;/h1-8H,12H2;2*1H
InChIKey	XTQSQUBTKOMVOP-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)N)C2=CN=CC=C2.Cl.Cl
Isomeric SMILES	C1=CC(=CC(=C1)N)C2=CN=CC=C2.Cl.Cl
PubChem CID	21146183
Molecular Weight	243.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	243.130 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	242.038 Da
Monoisotopic Mass	242.038 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	158.000
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	3

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