N-(2-Acetamido)iminodiacetic acid - 10mM in DMSO , CAS No.26239-55-4

CAS: 26239-55-4 Cat. No.: N422925 Molecular Weight: 190.15 Beilstein Registry Number: 1787181 EC Number: 247-530-0

GRADE & PURITY 10mM in DMSO

Synonyms

ADA | N'(1),N'(3)-dimethyl-N'(1),N'(3)-bis(phenylcarbonothioyl)malonohydrazide | s6310 | 2,5-bis(5-t-butyl-benzoxazol-2-yl)thiophene | ADA [MI] | SY048625 | FT-0621892 | N-[2-Acetamido]iminodiacetic acid | 5C4R3O704E | ACETIC ACID, ((CARBAMOYLMETHYL)IMINO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Biological buffer component with sodium hydroxide and sodium chloride (pH 5.67-7.57, useful pH range 6.4-7.4).Used to prepare immobilized pH gradients.

Specifications

Synonyms

ADA | N'(1), N'(3)-dimethyl-N'(1), N'(3)-bis(phenylcarbonothioyl)malonohydrazide | s6310 | 2, 5-bis(5-t-butyl-benzoxazol-2-yl)thiophene | ADA [MI] | SY048625 | FT-0621892 | N-[2-Acetamido]iminodiacetic acid | 5C4R3O704E | ACETIC ACID, ((CARBAMOYLMETHYL)IMINO

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C(C(=O)N)N(CC(=O)O)CC(=O)O
• IUPAC Name: 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
• InChIKey: QZTKDVCDBIDYMD-UHFFFAOYSA-N
• INCHI: 1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
• Isomeric SMILES: C(C(=O)N)N(CC(=O)O)CC(=O)O
• WGK Germany: 3
• Molecular Weight: 190.15
• Beilstein: 1787181
• Reaxy-Rn: 1787181
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1787181&ln=

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 Trialkylamines Amino acids Carboxylic acids Carboximidic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Dicarboxylic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - 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: ADA - dicarboxylic acid - tricarboxylic acid amide

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

• Melt Point(°C): 219 °C (dec.) (lit.)
• Molecular Weight: 190.150 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 190.059 Da
• Monoisotopic Mass: 190.059 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 211.000
• 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: 1

References

1. Jiaying Liu, Xiaonong Zhang, Chunsheng Xiao, Xuesi Chen.  (2023)  A Drug-Mineralized Hydrogel Orchestrated by Spontaneous Dynamic Mineralization.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202311844]

2. Zhengchao Zhang, Dejun Ding, Jinxiang Liu, Changbao Huang, Wentong Li, Keliang Lu, Ni Cheng.  (2023)  Supramolecular Nanozyme System Based on Polydopamine and Polyoxometalate for Photothermal-Enhanced Multienzyme Cascade Catalytic Tumor Therapy.  ACS Applied Materials & Interfaces,      [PMID:37535452] [10.1021/acsami.3c04723]