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1-hexadecyl-3-methylimidazol-3-ium，tetrafluoroborate - ≥98%, high purity , CAS No.244193-64-4

COA

Grade & Purity:

≥98%

Cas Number: 244193-64-4
PubChem CID: 18506491

In stock

Item Number

H770229

Grouped product items
SKU	Size	Availability	Price	Qty
H770229-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
H770229-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	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	Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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-hexadecyl-3-methylimidazol-3-ium;tetrafluoroborate
INCHI	InChI=1S/C20H39N2.BF4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2-1(3,4)5/h18-20H,3-17H2,1-2H3;/q+1;-1
InChIKey	WXCIBNGOVJQXTI-UHFFFAOYSA-N
Smiles	[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C
Isomeric SMILES	[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C
PubChem CID	18506491

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	394.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Exact Mass	394.314 Da
Monoisotopic Mass	394.314 Da
Topological Polar Surface Area	8.800 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	249.000
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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