Sodium iminodiacetate dibasic hydrate - ≥98% , CAS No.207398-95-6

CAS: 207398-95-6 Cat. No.: S168477 Molecular Weight: 177.07 (anhydrous basis) EC Number: 606-617-7

GRADE & PURITY ≥98%

Synonyms

AKOS015904239 | Sodium iminodiacetate dibasic monohydrate, >=95.0% (T) | disodium;2-(carboxylatomethylamino)acetate;hydrate | Iminodiacetic acid,disodium salt monohydrate | Sodium 2,2'-azanediyldiacetate hydrate | YSBGCHXLMBAKPV-UHFFFAOYSA-L | J-011150 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Sodium iminodiacetate dibasic hydrate (Iminodiacetic acid disodium salt monohydrate) has been used in the preparation of: · different iminodiacetic acid-agarose supports, useful for selective adsorption of large proteins · N-(o-hydroxybenzyl) iminodiacetic acid (multidentante ligand)

Specifications

Synonyms

AKOS015904239 | Sodium iminodiacetate dibasic monohydrate, >=95.0% (T) | disodium;2-(carboxylatomethylamino)acetate;hydrate | Iminodiacetic acid, disodium salt monohydrate | Sodium 2, 2'-azanediyldiacetate hydrate | YSBGCHXLMBAKPV-UHFFFAOYSA-L | J-011150 |

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(C(=O)[O-])NCC(=O)[O-].O.[Na+].[Na+]
• IUPAC Name: disodium;2-(carboxylatomethylamino)acetate;hydrate
• InChIKey: YSBGCHXLMBAKPV-UHFFFAOYSA-L
• INCHI: 1S/C4H7NO4.2Na.H2O/c6-3(7)1-5-2-4(8)9;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2
• Isomeric SMILES: C(C(=O)[O-])NCC(=O)[O-].O.[Na+].[Na+]
• WGK Germany: 3
• Alternate CAS: 928-72-3
• Molecular Weight: 177.07 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Dicarboxylic acids and derivatives 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: Alpha-amino acid - Dicarboxylic acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Organic alkali metal salt - Organic zwitterion - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

• Sensitivity: Hygroscopic
• Molecular Weight: 195.080 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 195.012 Da
• Monoisotopic Mass: 195.012 Da
• Topological Polar Surface Area: 93.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 96.700
• 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: 4

XLogP3

References

1. Daoyuan Zu, Haoran Song, Changping Li, Yuwei Wang, Rong Du, Rui Zhou, Wei Zhang, Shiting Pan, Yang Cai, Yongming Shen, Zhifeng Yang.  (2022)  Understanding the self-catalyzed decomplexation mechanism of Cu-EDTA in Ti3C2Tx MXene/peroxymonosulfate process.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2022.121131]