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Trisodium N-(1-Carboxylatoethyl)iminodiacetate Hydrate - 75%, high purity , CAS No.164462-16-2

COA

Grade & Purity:

≥75%

Cas Number: 164462-16-2
Molecular Weight: 271.11
PubChem CID: 11021984
PubChem SID: 504765899

In stock

Item Number

T414578

Grouped product items
SKU	Size	Availability	Price
T414578-5g	5g	6	$21.90
T414578-25g	25g	4	$45.90
T414578-100g	100g	6	$103.90
T414578-500g	500g	2	$344.90

Basic Description

Synonyms	164462-16-2 \| trisodium dicarboxymethyl alaninate \| Trisodium 2-Methylnitrilotriacetate \| Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3) \| Trisodium N-(1-Carboxylatoethyl)iminodiacetate \| 784K2O81WY \| Alanine, N,N-bis(carboxymethyl)-, trisodium salt \| trisodium;2-
Specifications & Purity	≥75%
Shipped In	Normal

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 Alanine and derivatives

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	Alanine and derivatives
Alternative Parents	Alpha amino acids Tricarboxylic acids and derivatives Trialkylamines Carboxylic acid salts Amino acids Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alanine or derivatives - Alpha-amino acid - Tricarboxylic acid or derivatives - Carboxylic acid salt - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid - Organic alkali metal salt - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic salt - Organic sodium salt - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504765899
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765899
IUPAC Name	trisodium;2-[bis(carboxylatomethyl)amino]propanoate
INCHI	InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
InChIKey	OHOTVSOGTVKXEL-UHFFFAOYSA-K
Smiles	CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
Isomeric SMILES	CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
PubChem CID	11021984
Molecular Weight	271.11
Reaxy-Rn	15031757

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
E2204266	Certificate of Analysis	May 18, 2022	T414578
E2204259	Certificate of Analysis	May 18, 2022	T414578
E2204258	Certificate of Analysis	May 18, 2022	T414578
E2204257	Certificate of Analysis	May 18, 2022	T414578
E2204263	Certificate of Analysis	May 18, 2022	T414578

Chemical and Physical Properties

Solubility	Soluble in water
Molecular Weight	271.110 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	271.004 Da
Monoisotopic Mass	271.004 Da
Topological Polar Surface Area	124.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	218.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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