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Nitrilotriacetic acid - ACS,≥99.0%, high purity , CAS No.139-13-9
Basic Description
Synonyms
NTA | N,N-Bis(carboxymethyl)glycine | Nitrilotriacetic acid, p.a., 99% | Tris(carboxymethyl)amine | Tri(carboxymethyl)amine | CCG-2133 | Potassium (N,N-bis(carboxymethyl)glycinato(3-)-N,O,O',O'')cadmate(1-) | Triglycollamic acid | HSDB 2853 | Versene NTA
Specifications & Purity
ACS, ≥99%
Shipped In
Normal
Grade
ACS
Product Description
An excellent chelating agent.
Taxonomic Classification
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
Tricarboxylic acids and derivatives Trialkylamines Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-amino acid - Tricarboxylic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic nitrogen compound - 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
NTA - tricarboxylic acid
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504751727
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751727
IUPAC Name
2-[bis(carboxymethyl)amino]acetic acid
INCHI
InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
MGFYIUFZLHCRTH-UHFFFAOYSA-N
Smiles
C(C(=O)O)N(CC(=O)O)CC(=O)O
Isomeric SMILES
C(C(=O)O)N(CC(=O)O)CC(=O)O
WGK Germany
2
RTECS
AJ0175000
Molecular Weight
191.14
Beilstein
1710776
Reaxy-Rn
1710776
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1710776&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Insoluble in water. Insoluble in most organic solvents;Solubility in 1mol/L NaOH almost transparency
Sensitivity
Moisture sensitive.
Flash Point(°F)
212.0 °F
Flash Point(°C)
100 °C
Melt Point(°C)
245°C
Molecular Weight
191.140 g/mol
XLogP3
-3.200
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Exact Mass
191.043 Da
Monoisotopic Mass
191.043 Da
Topological Polar Surface Area
115.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
187.000
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
Citations of This Product
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