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N-Methyl-4-(1-imidazolyl)benzylamine - ≥97%, high purity , CAS No.179873-45-1

COA

Grade & Purity:

≥97%

Cas Number: 179873-45-1
Molecular Weight: 187.24
PubChem CID: 7157371

In stock

Item Number

N710201

Grouped product items
SKU	Size	Availability	Price
N710201-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
N710201-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$517.90
N710201-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,299.90

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	Phenylmethylamines Benzylamines Aralkylamines N-substituted imidazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylimidazole - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - 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	1-(4-imidazol-1-ylphenyl)-N-methylmethanamine
INCHI	InChI=1S/C11H13N3/c1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14/h2-7,9,12H,8H2,1H3
InChIKey	VZIBQMZVUZDSFA-UHFFFAOYSA-N
Smiles	CNCC1=CC=C(C=C1)N2C=CN=C2
Isomeric SMILES	CNCC1=CC=C(C=C1)N2C=CN=C2
PubChem CID	7157371
Molecular Weight	187.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	187.240 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	187.111 Da
Monoisotopic Mass	187.111 Da
Topological Polar Surface Area	29.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	164.000
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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