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3-Benzyl-1-dodecyl-2-methyl-1H-imidazol-3-ium chloride - ≥97%, high purity , CAS No.21054-72-8

COA

Grade & Purity:

≥97%

Cas Number: 21054-72-8
Molecular Weight: 377.01
PubChem CID: 88762

In stock

Item Number

B694985

Grouped product items
SKU	Size	Availability	Price	Qty
B694985-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
B694985-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$333.90

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Heterocyclic compound (17)

Basic Description

Specifications & Purity	≥97%
Storage Temp	Protected from light,Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	N-substituted imidazoles
Alternative Parents	Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
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-benzyl-3-dodecyl-2-methylimidazol-1-ium;chloride
INCHI	InChI=1S/C23H37N2.ClH/c1-3-4-5-6-7-8-9-10-11-15-18-24-19-20-25(22(24)2)21-23-16-13-12-14-17-23;/h12-14,16-17,19-20H,3-11,15,18,21H2,1-2H3;1H/q+1;/p-1
InChIKey	PBODPHKDNYVCEJ-UHFFFAOYSA-M
Smiles	CCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-]
Isomeric SMILES	CCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-]
Molecular Weight	377.01

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	377.000 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	13
Exact Mass	376.265 Da
Monoisotopic Mass	376.265 Da
Topological Polar Surface Area	8.800 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	311.000
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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