Tetrasodium iminodisuccinate - AR , CAS No.144538-83-0

CAS: 144538-83-0 Cat. No.: T302889 Peso molecular: 337.10 Número EC: 604-420-0 PubChem CID: 9927753

GRADE & PURITY AR

Synonyms

Aspartic acid, N-(1,2-dicarboxyethyl)-, sodium salt (1:4) | UNII-GYS41J2635 | TETRASODIUM IMINIDISUCCINATE | GYS41J2635 | Aspartic acid, N-(1,2-dicarboxyethyl)-, tetrasodium salt | Tetrasodium iminodisuccinate | Sodium 2,2'-azanediyldisuccinate

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Aspartic acid, N-(1, 2-dicarboxyethyl)-, sodium salt (1:4) | UNII-GYS41J2635 | TETRASODIUM IMINIDISUCCINATE | GYS41J2635 | Aspartic acid, N-(1, 2-dicarboxyethyl)-, tetrasodium salt | Tetrasodium iminodisuccinate | Sodium 2, 2'-azanediyldisuccinate

Especificaciones y pureza

AR

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

AR

Nombres e identificadores

• Pubchem Sid: 488196439
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196439
• Sonrisas canónicas: C(C(C(=O)[O-])NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;2-(1,2-dicarboxylatoethylamino)butanedioate
• InChIKey: GYBINGQBXROMRS-UHFFFAOYSA-J
• INCHI: 1S/C8H11NO8.4Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4
• Isómeros SMILES: C(C(C(=O)[O-])NC(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• PubChem CID: 9927753
• Peso molecular: 337.10

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Aspartic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Aspartic acid and derivatives
• Alternative Parents: Tetracarboxylic acids and derivatives Alpha amino acids Carboxylic acid salts Amino acids Dialkylamines Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aspartic acid or derivatives - Tetracarboxylic acid or derivatives - Alpha-amino acid - Carboxylic acid salt - Amino acid - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Organic alkali metal salt - Organic zwitterion - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Peso molecular: 337.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 336.976 Da
• Monoisotopic Mass: 336.976 Da
• Topological Polar Surface Area: 173.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3

Referencias

1. Meng Liu, Lezhu Su, Yujiao Wen, Fengjuan Xu, Lide Liu, Yifan Wang, Liqian Guan, Zhi Zhou, Nan Zhou.  (2023)  An electron-donating system composed of a CIDS@CFO@F0C0 catalyst for the sustainable generation of free radicals to inactivate pathogens.  Environmental Science-Nano,  11  (1): (253-265).  [PMID:] [10.1039/D3EN00542A]

2. Yi Ren, Xingpeng Liu, Honglin Li, Jicheng Qin, Sanshan Du, Xubin Lu, Junfeng Tong, Chunyan Yang, Jianfeng Li.  (2022)  Utilizing non-conjugated small-molecular tetrasodium iminodisuccinateas electron transport layer enabled improving efficiency of organic solar cells.  OPTICAL MATERIALS,      [PMID:] [10.1016/j.optmat.2022.112520]

3. Yujiao Wen, Meng Liu, Shikai Li, Lezhu Su, Yifan Wang, Zhi Zhou, Nan Zhou, Ruilian Li.  (2022)  Efficient removal of sulfamethazine from irrigation water using an ultra-stable magnetic carbon composite catalyst.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.137188]

4. Xiaodan Tang, Yukun Luan, Yuyan Zhao, Bing Li, Mengchun Wu, Yawen Lai.  (2024)  Tetrasodium iminodisuccinate modified montmorillonite for Pb and Cd adsorption from water: Characterization and mechanism.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.113953]

5. Zhou Wentao, Gao Yali, Cao Jianhang, Zhang Ziyuan, Kang Fenghua, Ran Ke, He Zhiyu, Zhou Shixuan, Li Yintao.  (2025)  Preparation of environment-friendly chelator-modified sodium-based montmorillonite/two-component polyurethane strippable materials and their performance of radionuclide removal.  JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,      [PMID:] [10.1007/s10967-025-10223-x]

6. Xiao-Han Wang, Bingyou Jiang, Chunshan Zheng, Gaochao Pan, Shiju Wang, Yi Zhang, Ben Ji.  (2024)  Influence of IDS and SDS compound ratio on pore structure and wettability of bituminous coal and anthracite: Experimental and simulation discussion.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.125037]

7. Qifang Zheng, Liuyang Dong, Peilun Shen, Dianwen Liu.  (2025)  Efficient flotation separation of cassiterite from fluorite using a novel depressant tetrasodium iminodisuccinate.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.137264]

8. Yaran Lv, Yating Huang, Zhenxiang Huang, Qinhua Miao, Guofeng Pan, Lifei Zhang, Jie Cheng.  (2026)  Insights into the effects of complexing agents on Co surface during its chemical mechanical polishing process.  Surfaces and Interfaces,      [PMID:] [10.1016/j.surfin.2026.108791]