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Sodium 1-Undecanesulfonate [Reagent for Ion-Pair Chromatography] - >98.0%(T), high purity , CAS No.5838-34-6
Basic Description
Synonyms
Sodium 1-undecanesulfonate | U0031 | AS-81714 | F17202 | I0349 | sodium undecane-1-sulfonate | 1-Undecanesulfonic acid sodium salt | 1-Undecanesulfonic acid, sodium salt (1:1) | SCHEMBL342445 | sodium undecylsulfonate | DTXSID00635654 | IPC-ALKS-11 | sodi
Specifications & Purity
≥98%(T)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Subclass
Organosulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Organosulfonic acids
Alternative Parents
Sulfonyls Alkanesulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
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
Pubchem Sid
504769677
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769677
IUPAC Name
sodium;undecane-1-sulfonate
INCHI
InChI=1S/C11H24O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14;/h2-11H2,1H3,(H,12,13,14);/q;+1/p-1
InChIKey
DBMQUCVJHLWQHT-UHFFFAOYSA-M
Smiles
CCCCCCCCCCCS(=O)(=O)[O-].[Na+]
Isomeric SMILES
CCCCCCCCCCCS(=O)(=O)[O-].[Na+]
PubChem CID
23692564
Molecular Weight
258.35
Reaxy-Rn
3751377
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Molecular Weight
258.360 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
10
Exact Mass
258.127 Da
Monoisotopic Mass
258.127 Da
Topological Polar Surface Area
65.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
222.000
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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H2112287