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4-(3-Butyl-1-imidazolio)-1-butanesulfonate - 98%, high purity , CAS No.439937-61-8

COA

Grade & Purity:

≥98%

Cas Number: 439937-61-8
Molecular Weight: 260.35
MDL number: MFCD07784454
PubChem CID: 44119428
PubChem SID: 488200952

In stock

Item Number

B170369

Grouped product items
SKU	Size	Availability	Price
B170369-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$294.90
B170369-5g	5g	5	$1,029.90
B170369-25g	25g	3	$2,471.90
B170369-50g	50g	2	$3,433.90

Basic Description

Synonyms	SCHEMBL34148 \| tert-butyl?4-(trifluoromethyl)phenylcarbamate \| 1H-Imidazolium,1-butyl-3-(4-sulfobutyl)-,inner salt \| 4-(3-Butyl-2,3-dihydro-1H-imidazol-1-yl)butane-1-sulphonic acid \| 4-[3-(But-1-yl)-2,3-dihydro-1H-imidazol-1-yl]butanesulphonic acid 95% \|
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolines
    - Subclass Imidazolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azolines
Subclass	Imidazolines
Intermediate Tree Nodes	Not available
Direct Parent	Imidazolines
Alternative Parents	Sulfonyls Organosulfonic acids Alkanesulfonic acids Tertiary amines Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	4-imidazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Enamine - Azacycle - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as imidazolines. These are organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double 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

Pubchem Sid	488200952
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200952
IUPAC Name	4-(3-butyl-2H-imidazol-1-yl)butane-1-sulfonic acid
INCHI	InChI=1S/C11H22N2O3S/c1-2-3-6-12-8-9-13(11-12)7-4-5-10-17(14,15)16/h8-9H,2-7,10-11H2,1H3,(H,14,15,16)
InChIKey	HMUNIRFNXACTFG-UHFFFAOYSA-N
Smiles	CCCCN1CN(C=C1)CCCCS(=O)(=O)O
Isomeric SMILES	CCCCN1CN(C=C1)CCCCS(=O)(=O)O
WGK Germany	3
Molecular Weight	260.35
Reaxy-Rn	33064932
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33064932&ln=

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

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6 results found

Lot Number	Certificate Type	Date	Item
F23141208	Certificate of Analysis	May 23, 2023	B170369
F23141202	Certificate of Analysis	May 23, 2023	B170369
F2314274	Certificate of Analysis	May 23, 2023	B170369
F2314286	Certificate of Analysis	May 23, 2023	B170369
F2314278	Certificate of Analysis	May 23, 2023	B170369
F2314276	Certificate of Analysis	May 23, 2023	B170369

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	262.370 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	262.135 Da
Monoisotopic Mass	262.135 Da
Topological Polar Surface Area	69.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	335.000
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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