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1-Butyl-2,3-dimethylimidazoliumoctylsulfate - 98%, high purity , CAS No.108203-89-0

COA

Grade & Purity:

≥98%

Cas Number: 108203-89-0
Molecular Weight: 352.45
MDL number: MFCD03788911
PubChem CID: 2734168

In stock

Item Number

B281441

Grouped product items
SKU	Size	Availability	Price	Qty
B281441-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90

BDiMIM

Basic Description

Synonyms	1-Butyl-2,3-dimethyl-1H-imidazol-3-ium \| NCGC00248720-01 \| SCHEMBL294424 \| 1-butyl-2,3-dimethylimidazolium \| 1-butyl-2,3-dimethylimidazol-3-ium \| NCGC00248720-02 \| NCGC00248720-03 \| NCGC00248720-04 \| 1-BUTYL-2,3-DIMETHYLIMIDAZOLIUM DIETHYLENEGLYCOLMONOMET
Specifications & Purity	≥98%

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 Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - 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-butyl-2,3-dimethylimidazol-3-ium
INCHI	InChI=1S/C9H17N2/c1-4-5-6-11-8-7-10(3)9(11)2/h7-8H,4-6H2,1-3H3/q+1
InChIKey	XUAXVBUVQVRIIQ-UHFFFAOYSA-N
Smiles	CCCCN1C=C[N+](=C1C)C
Isomeric SMILES	CCCCN1C=C[N+](=C1C)C
Molecular Weight	352.45
Reaxy-Rn	8764087
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8764087&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	153.240 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	153.139 Da
Monoisotopic Mass	153.139 Da
Topological Polar Surface Area	8.800 Å²
Heavy Atom Count	11
Formal Charge	1
Complexity	114.000
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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