Amino-Tri-(carboxyethoxymethyl)-methane - ≥98% , CAS No.174362-95-9

CAS: 174362-95-9 Cat. No.: A596630 Molecular Weight: 337.32

GRADE & PURITY ≥98%

Synonyms

3-[2-amino-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid | 3,3'-((2-amino-2-((2-carboxyethoxy)methyl)propane-1,3-diyl)bis(oxy))dipropionic acid | Tris{[2-carboxyethoxy]methyl}methylamine

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Overview

Amino-Tri-(carboxyethoxymethyl)-methane is a PEG derivative containing an amine group with three terminal carboxylic acids. The amino group is reactive towards carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The terminal carboxylic acids can be reacted with primary amine groups in the presence of activators (e.g. EDC, or DCC) to form a stable amide bond.

Specifications

Synonyms

3-[2-amino-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid | 3, 3'-((2-amino-2-((2-carboxyethoxy)methyl)propane-1, 3-diyl)bis(oxy))dipropionic acid | Tris{[2-carboxyethoxy]methyl}methylamine

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(COCC(COCCC(=O)O)(COCCC(=O)O)N)C(=O)O
• IUPAC Name: 3-[2-amino-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid
• InChIKey: PZOSHMSOMAHCEX-UHFFFAOYSA-N
• INCHI: 1S/C13H23NO9/c14-13(7-21-4-1-10(15)16,8-22-5-2-11(17)18)9-23-6-3-12(19)20/h1-9,14H2,(H,15,16)(H,17,18)(H,19,20)
• Isomeric SMILES: C(COCC(COCCC(=O)O)(COCCC(=O)O)N)C(=O)O
• Molecular Weight: 337.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Amino acids Dialkyl ethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Carboxylic acid - Dialkyl ether - Ether - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility：Water, DMSO, DCM, DMF
• Sensitivity: Moisture sensitive；Light sensitive
• Molecular Weight: 337.320 g/mol
• XLogP3: -5.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 337.137 Da
• Monoisotopic Mass: 337.137 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 331.000
• 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