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1-Decyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate - 98%, high purity , CAS No.412009-62-2
Basic Description
Synonyms
NCGC00258147-01 | 1-Decyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate | NCGC00248752-01 | CAS-412009-62-2 | 1-Decyl-3-methylimidazolium trifluoromethanesulfonate | SCHEMBL318766 | BS-51405 | DTXCID6027892 | 1-decyl-3-methylimidazol-3-ium;trifluor
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
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 Organic salts Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
N-substituted imidazole - Heteroaromatic compound - Azacycle - 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
Data sources
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.
Names and Identifiers
IUPAC Name
1-decyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
INCHI
InChI=1S/C14H27N2.CHF3O3S/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;2-1(3,4)8(5,6)7/h12-14H,3-11H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey
YFLIZKWXKVXRES-UHFFFAOYSA-M
Smiles
CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES
CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
Molecular Weight
372.44
Reaxy-Rn
10623403
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10623403&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
372.400 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
9
Exact Mass
372.169 Da
Monoisotopic Mass
372.169 Da
Topological Polar Surface Area
74.400 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
303.000
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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