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2-(2-Imidazolyl)aniline Hydrochloride - ≥95%, high purity , CAS No.1261269-03-7

COA

Grade & Purity:

≥95%

Cas Number: 1261269-03-7
Molecular Weight: 195.65
PubChem CID: 71432787

In stock

Item Number

A692354

Grouped product items
SKU	Size	Availability	Price	Qty
A692354-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$654.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	Aniline and substituted anilines Heteroaromatic compounds Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylimidazole - 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 phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole 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	2-(1H-imidazol-2-yl)aniline;hydrochloride
INCHI	InChI=1S/C9H9N3.ClH/c10-8-4-2-1-3-7(8)9-11-5-6-12-9;/h1-6H,10H2,(H,11,12);1H
InChIKey	YXNHVDTZRQDTNX-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C2=NC=CN2)N.Cl
Isomeric SMILES	C1=CC=C(C(=C1)C2=NC=CN2)N.Cl
PubChem CID	71432787
Molecular Weight	195.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	195.650 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	195.056 Da
Monoisotopic Mass	195.056 Da
Topological Polar Surface Area	54.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149.000
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	2

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