4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid hemisodium salt - ≥99% , CAS No.103404-87-1

CAS: 103404-87-1 Cat. No.: H189426 Molecular Weight: 249.30 EC Number: 688-394-6

GRADE & PURITY ≥99%

Synonyms

FT-0610868 | HEPES sodium salt | Sodium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate | N-(2-Hydroxyethyl)piperazine-N'-2-ethanesulfonic acid,sodium salt | AKOS015897769 | Z9FTO91O8A | N-2-Hydroxyethylpiperazine-N'-2-ethanesulphonic acid hemisodium

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0610868 | HEPES sodium salt | Sodium 2-(4-(2-hydroxyethyl)piperazin-1-yl)ethanesulfonate | N-(2-Hydroxyethyl)piperazine-N'-2-ethanesulfonic acid, sodium salt | AKOS015897769 | Z9FTO91O8A | N-2-Hydroxyethylpiperazine-N'-2-ethanesulphonic acid hemisodium

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1CCO)CCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
• InChIKey: RDZTWEVXRGYCFV-UHFFFAOYSA-M
• INCHI: 1S/C8H18N2O4S.Na/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;/h11H,1-8H2,(H,12,13,14);/q;+1/p-1
• Isomeric SMILES: C1CN(CCN1CCO)CCS(=O)(=O)[O-].[Na+]
• Molecular Weight: 249.30
• Reaxy-Rn: 14541911
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14541911&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 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organic zwitterions Organic sodium 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 - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - 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: organic sodium salt - N-(2-hydroxyethyl)piperazine - N-(sulfoalkyl)piperazine

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: Soluble in water.
• Molecular Weight: 260.290 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 260.081 Da
• Monoisotopic Mass: 260.081 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 272.000
• 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

References

1. Ping Wang, Boyuan Liu, Qingqing Wang, Yue Wang, Xiuqian Gao, Jingxin Gou, Haibing He, Yu Zhang, Tian Yin, Xiangqun Jin, Xing Tang.  (2024)  Enhanced localized therapeutic precision: A face-to-face folate-targeted Cu2+-mediated nanotherapy with thermosensitive sustained-release system.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:38729382] [10.1016/j.ijpharm.2024.124213]

2. Jiuhong Yi, Anlai Zou, Ting Yu, Jinjie Hou, Zexiang Wang, Jun Zhang, Yunlei Xianyu.  (2025)  Multifunctional hydrogel patch for wearable colorimetric sensing and oral ulcer therapy.  BIOSENSORS & BIOELECTRONICS,      [PMID:41151475] [10.1016/j.bios.2025.118146]