3-(1-Pyridinio)-1-propanesulfonate(NDSB 201) - ≥98% , CAS No.15471-17-7

CAS: 15471-17-7 Cat. No.: P121965 Molecular Weight: 201.24 Beilstein Registry Number: 1621867 EC Number: 239-491-3

GRADE & PURITY ≥98%

Synonyms

3-pyridin-1-ium-1-ylpropane-1-sulfonate | MLS000779841 | QN4I6AI9EK | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | AKOS015912583 | DS-17163 | S0813 | 3-(1-Pyridinio)-1-propanesulfonate, >=97.0% (N) | A809565 | UNII-QN4I6AI9EK | 1-(3-Sulfopropyl)pyridin-1-ium |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

3-pyridin-1-ium-1-ylpropane-1-sulfonate | MLS000779841 | QN4I6AI9EK | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | AKOS015912583 | DS-17163 | S0813 | 3-(1-Pyridinio)-1-propanesulfonate, >=97.0% (N) | A809565 | UNII-QN4I6AI9EK | 1-(3-Sulfopropyl)pyridin-1-ium |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Zwitterionic non-detergent sulfobetaine. Used to extract, solubilise and crystallise proteins. Prevents protein aggregation and promotes renaturation of denatured proteins.

Storage

Argon charged, Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755783
• Canonical Smiles: C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]
• IUPAC Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonate
• InChIKey: REEBJQTUIJTGAL-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
• Isomeric SMILES: C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]
• WGK Germany: 3
• Molecular Weight: 201.24
• Beilstein: 1621867
• Reaxy-Rn: 1621867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1621867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Heteroaromatic compound - Azacycle - Organic zwitterion - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in water: Completely soluble; Very slightly soluble in Ethanol
• Sensitivity: Air sensitive,Hygroscopic
• Flash Point(°F): 320 °F
• Flash Point(°C): 160 °C
• Melt Point(°C): 275°C
• Molecular Weight: 201.250 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.046 Da
• Monoisotopic Mass: 201.046 Da
• Topological Polar Surface Area: 69.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 213.000
• 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

References

1. Lei Zhang, Bing Sun, Qinghua Liu, Lin Song, Teibang Zhang, Xiaobo Duan.  (2023)  Construction of a dense and N-rich solid electrolyte interface for dendrite-free lithium metal batteries.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2023.233391]