Ethylenediaminetetraacetic acid calcium Disodium salt hydrate (EDTA-CaNa2) - AR , CAS No.23411-34-9

CAS: 23411-34-9 Cat. No.: E102871 Molecular Weight: 374.27 (as Anhydrous) EC Number: 607-231-1

GRADE & PURITY AR

Synonyms

CALCIATE(2-), ((N,N'-1,2-ETHANEDIYLBIS(N-((CARBOXY-.KAPPA.O)METHYL)GLYCINATO-.KAPPA.N,.KAPPA.O))(4-))-, SODIUM, HYDRATE (1:2:2), (OC-6-21)- | Disodium((ethylenedinitrilo)tetraacetato)calciate(2-) hydrate | Calciate(2-),[[N,N'-1,2-ethanediylbis[N-[(carboxy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

CALCIATE(2-), ((N, N'-1, 2-ETHANEDIYLBIS(N-((CARBOXY-.KAPPA.O)METHYL)GLYCINATO-.KAPPA.N, .KAPPA.O))(4-))-, SODIUM, HYDRATE (1:2:2), (OC-6-21)- | Disodium((ethylenedinitrilo)tetraacetato)calciate(2-) hydrate | Calciate(2-), [[N, N'-1, 2-ethanediylbis[N-[(carboxy

Specifications & Purity

AR

Storage

Room temperature

Shipped In

Normal

Grade

AR

Names and Identifiers

• Pubchem Sid: 504770706
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770706
• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]
• IUPAC Name: calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
• InChIKey: JCQNARRMQCMKAN-UHFFFAOYSA-J
• INCHI: 1S/C10H16N2O8.Ca.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;2*1H2/q;+2;2*+1;;/p-4
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.[Na+].[Na+].[Ca+2]
• WGK Germany: 2
• RTECS: EV7700000
• Alternate CAS: 62-33-9；6766-87-6
• Molecular Weight: 374.27 (as Anhydrous)
• Reaxy-Rn: 25223450
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25223450&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Trialkylamines Carboxylic acid salts Amino acids Organic calcium salts Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Tertiary amine - Tertiary aliphatic amine - Organic calcium salt - Carboxylic acid - Organic alkali metal salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Amine - Organic sodium salt - Organic zwitterion - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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

• Molecular Weight: 410.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 410.023 Da
• Monoisotopic Mass: 410.023 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 293.000
• 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: 6

XLogP3

References

1. Xuan Pei, Linnan Wang, Lina Wu, Haoyuan Lei, Zhimou Zeng, Lei Wang, Changchun Zhou, Xi Yang, Yueming Song, Yujiang Fan.  (2023)  In-situ synthesized hydroxyapatite whiskers on 3D printed titanium cages enhanced osteointegration in a goat spinal fusion model.  MATERIALS & DESIGN,      [PMID:] [10.1016/j.matdes.2023.112270]

2. Hua Wei, Zhenwu Wang, Hua Zhang, Youju Huang, Zongbao Wang, Yang Zhou, Ben Bin Xu, Sami Halila, Jing Chen.  (2021)  Ultrastretchable, Highly Transparent, Self-Adhesive, and 3D-Printable Ionic Hydrogels for Multimode Tactical Sensing.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.1c01246]

3. Min-Xi Li, Yao Chen, Zeng-Ping Chen, Ru-Qin Yu.  (2021)  Quantification of alkaline phosphatase in cell lysates by a simple fluorescence method in combination with a modified standard addition calibration strategy.  CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS,      [PMID:] [10.1016/j.chemolab.2021.104267]

4. Shanshan Tie, Wentao Su, Xuedi Zhang, Yannan Chen, Xue Zhao, Mingqian Tan.  (2021)  pH-Responsive Core–Shell Microparticles Prepared by a Microfluidic Chip for the Encapsulation and Controlled Release of Procyanidins.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:33507744] [10.1021/acs.jafc.0c04895]

5. Jiaxiu Li, Chunling Zhang, Hui Liu, Jiechao Liu, Zhonggao Jiao.  (2020)  Profiles of Sugar and Organic Acid of Fruit Juices: A Comparative Study and Implication for Authentication.  JOURNAL OF FOOD QUALITY,      [PMID:] [10.1155/2020/7236534]

6. Peng Mengke, Hu Fenyan, Du Minting, Mai Bingjie, Zheng Shurong, Liu Peng, Wang Changhao, Chen Yashao.  (2019)  Hydrothermal growth of hydroxyapatite and ZnO bilayered nanoarrays on magnesium alloy surface with antibacterial activities.  Frontiers of Materials Science,  14  (1): (14-23).  [PMID:] [10.1007/s11706-020-0489-5]

7. Ying Huang, Zhengwei Huang, Mingjun Wu, Yanpeng Liu, Cheng Ma, Xuejuan Zhang, Ziyu Zhao, Xuequn Bai, Hu Liu, Lili Wang, Xin Pan, Chuanbin Wu.  (2019)  Modified-release oral pellets for duodenum delivery of doxycycline hyclate.  DRUG DEVELOPMENT RESEARCH,  80  (7): (958-969).  [PMID:31359488] [10.1002/ddr.21575]

8. Shengjie Jiang, Hua Jing, Yu Zhuang, Jinjie Cui, Zeyu Fu, Dejian Li, Cancan Zhao, Usman Liaqat, Kaili Lin.  (2024)  BMSCs-laden mechanically reinforced bioactive sodium alginate composite hydrogel microspheres for minimally invasive bone repair.  CARBOHYDRATE POLYMERS,      [PMID:38431401] [10.1016/j.carbpol.2024.121933]

9. Jixiao Hao, Shuai Yan, Hua Yuan, Cong Du, Yeqiang Tan.  (2024)  High-strength alginate fibers wet-spun from pre-crosslinked sodium alginate solutions.  CARBOHYDRATE POLYMERS,      [PMID:39048227] [10.1016/j.carbpol.2024.122386]

10. Wenxin Jiang, Fengting Li, Tianci Qiu, Wei Lu, Zhiming Gao, Yuehan Wu, Dan Yuan, Yanlei Li.  (2025)  Lubricating performance of pectin: Influence from the colloidal structures.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2025.112267]