N-(2-Acetamido)iminodiacetic acid - Ultra pure, ≥99%(T) , CAS No.26239-55-4

CAS: 26239-55-4 Cat. No.: A108965 Peso molecular: 190.15 Beilstein Registry Number: 1787181 Número EC: 247-530-0

GRADE & PURITY Ultra pure, ≥99%(T)

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

Room temperature

Shipped In

Normal

Descripción general

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

Sinónimos

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

Especificaciones y pureza

Ultra pure, ≥99%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Ultra pure

Pureza

≥99%(T)

Nombres e identificadores

• Pubchem Sid: 504756769
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756769
• Sonrisas canónicas: 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)
• Isómeros SMILES: C(C(=O)N)N(CC(=O)O)CC(=O)O
• WGK Alemania: 3
• Peso molecular: 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
    • Clase 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
• 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: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 219 °C (dec.) (lit.)
• Peso molecular: 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

Referencias

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]