Sodium 1-pentanesulfonate - ≥98% , CAS No.22767-49-3

CAS: 22767-49-3 Cat. No.: S104953 Peso molecular: 174.19 Número EC: 245-208-4 PubChem CID: 23664617

GRADE & PURITY ≥98%

Synonyms

Sodium pentanesulfonate | sodium pentane-1-sulfonate | 1-Pentanesulfonic acid sodium salt

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Ion-associating reagent for HPLC, including analyses of peptides and proteins.

Specifications

Sinónimos

Sodium pentanesulfonate | sodium pentane-1-sulfonate | 1-Pentanesulfonic acid sodium salt

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200399
• Sonrisas canónicas: CCCCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;pentane-1-sulfonate
• InChIKey: ROBLTDOHDSGGDT-UHFFFAOYSA-M
• INCHI: 1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
• Isómeros SMILES: CCCCCS(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• PubChem CID: 23664617
• Peso molecular: 174.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): >300°
• Peso molecular: 174.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 174.033 Da
• Monoisotopic Mass: 174.033 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 147.000
• 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

XLogP3

Referencias

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