PIPES dipotassium salt(PIPES-K2) - ≥99%(T) , CAS No.108321-27-3

CAS: 108321-27-3 Cat. No.: P113027 Molecular Weight: 378.55

GRADE & PURITY ≥99%(T)

Synonyms

Piperazine-1,4-bis(2-ethanesulfonic acid)dipotassium salt | 1,4-Piperazinediethanesulfonic acid, potassium salt (1:2) | PIPES dipotassium salt | SCHEMBL9897196 | MFCD00069751 | AKOS024464834 | 1,4-Piperazinediethanesulfonic acid, dipotassium salt | PIPES

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Piperazine-1, 4-bis(2-ethanesulfonic acid)dipotassium salt | 1, 4-Piperazinediethanesulfonic acid, potassium salt (1:2) | PIPES dipotassium salt | SCHEMBL9897196 | MFCD00069751 | AKOS024464834 | 1, 4-Piperazinediethanesulfonic acid, dipotassium salt | PIPES

Specifications & Purity

≥99%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(T)

Names and Identifiers

• Canonical Smiles: C1CN(CCN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[K+].[K+]
• IUPAC Name: dipotassium;2-[4-(2-sulfonatoethyl)piperazin-1-yl]ethanesulfonate
• InChIKey: BJQYFCAMUXGZFN-UHFFFAOYSA-L
• INCHI: 1S/C8H18N2O6S2.2K/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;/h1-8H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
• Isomeric SMILES: C1CN(CCN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[K+].[K+]
• WGK Germany: 3
• Molecular Weight: 378.55
• Reaxy-Rn: 14560700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14560700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Trialkylamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary aliphatic amine - Tertiary amine - Organic alkali metal salt - Azacycle - Organic potassium salt - Organic salt - Organic zwitterion - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
• 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: water: 0.5 g/mL, clear, colorless
• Molecular Weight: 378.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 377.972 Da
• Monoisotopic Mass: 377.972 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 370.000
• 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: 3

XLogP3

References

1. Hongmin Cui, Jinsong Shi, Jianguo Xu, Nanfu Yan, Yuewei Liu.  (2023)  Direct synthesis of N, S co-doped porous carbons using novel organic potassium salts as activators for efficient CO2 adsorption.  FUEL,      [PMID:] [10.1016/j.fuel.2023.127824]