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3-methyl-1-vinyl-1H-imidazolium methyl sulphate - ≥97%, high purity , CAS No.26591-72-0

COA

Grade & Purity:

≥97%

Cas Number: 26591-72-0
Molecular Weight: 222.2621
MDL number: MFCD22495130
PubChem CID: 168565

In stock

Item Number

M769136

Grouped product items
SKU	Size	Availability	Price
M769136-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
M769136-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$728.90
M769136-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,218.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Sulfuric acid monoesters Alkyl sulfates Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - N-substituted imidazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - 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

INCHI	InChI=1S/C6H9N2.CH4O4S/c1-3-8-5-4-7(2)6-8;1-5-6(2,3)4/h3-6H,1H2,2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey	BZVFPIHTRLNAQA-UHFFFAOYSA-M
Smiles	C[N+]1=CN(C=C1)C=C.COS(=O)(=O)[O-]
Isomeric SMILES	C[N+]1=CN(C=C1)C=C.COS(=O)(=O)[O-]
Molecular Weight	222.2621

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	220.250 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	220.052 Da
Monoisotopic Mass	220.052 Da
Topological Polar Surface Area	83.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	181.000
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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