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N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid trisodium salt solution - ~41% in H2O (T), high purity , CAS No.139-89-9
Basic Description
Synonyms
AKOS015892914 | N-(Hydroxyethyl)-N,N',N'-ethylenediaminetriacetic acid trisodium salt | Trisodium 2-(carboxylatomethyl(2-hydroxyethyl)amino)ethyliminodi(acetate) | N-(2-(Bis(carboxymethyl)amino)-ethyl)-N-(2-hydroxyethyl)glycine trisodium salt | N-(2-(BIS(
Specifications & Purity
~41% in H2O (T)
Shipped In
Normal
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 Carboxylic acid salts Amino acids 1,2-aminoalcohols Carboxylic acids Primary alcohols Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-amino acid - Tricarboxylic acid or derivatives - 1,2-aminoalcohol - Carboxylic acid salt - Tertiary amine - Amino acid - Tertiary aliphatic amine - Alkanolamine - Carboxylic acid - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - 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.
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
504751732
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751732
IUPAC Name
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
INCHI
InChI=1S/C10H18N2O7.3Na/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19;;;/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19);;;/q;3*+1/p-3
InChIKey
WHNXAQZPEBNFBC-UHFFFAOYSA-K
Smiles
C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Na+].[Na+].[Na+]
Isomeric SMILES
C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Na+].[Na+].[Na+]
WGK Germany
2
Alternate CAS
207386-87-6
Molecular Weight
380.24
Reaxy-Rn
7181080
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7181080&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
288°C(dec.)(lit.)
Molecular Weight
344.200 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
8
Exact Mass
344.057 Da
Monoisotopic Mass
344.057 Da
Topological Polar Surface Area
147.000 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
288.000
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
4
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K2309103