Amino-PEG3-CH2COOH - ≥95% , CAS No.134978-99-7

CAS: 134978-99-7 Cat. No.: A412750 Molecular Weight: 207.22

GRADE & PURITY ≥95%

Synonyms

Amine-PEG3-CH2COOH | Amino-PEG3-CH2COOH | H2N-PEG3-CH2COOH | 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetic acid | MFCD24479841 | 2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)acetic acid | Acetic acid, [2-[2-(2-aminoethoxy)ethoxy]ethoxy]-

Storage

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

Shipped In

Ice chest + Ice pads

Overview

Information

Amino-PEG3-CH2COOH is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

Specifications

Synonyms

Amine-PEG3-CH2COOH | Amino-PEG3-CH2COOH | H2N-PEG3-CH2COOH | 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetic acid | MFCD24479841 | 2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)acetic acid | Acetic acid, [2-[2-(2-aminoethoxy)ethoxy]ethoxy]-

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Amino-PEG3-CH2COOH is a PEG-based PROTAC linker that is applicable to the synthesis of PROTACs.

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

≥95%

Names and Identifiers

• Canonical Smiles: C(COCCOCCOCC(=O)O)N
• IUPAC Name: 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetic acid
• InChIKey: DGRJZSGHEKZYHP-UHFFFAOYSA-N
• INCHI: 1S/C8H17NO5/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h1-7,9H2,(H,10,11)
• Isomeric SMILES: C(COCCOCCOCC(=O)O)N
• Molecular Weight: 207.22
• Reaxy-Rn: 4860976
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4860976&ln=

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 Amino acids

• 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
• Direct Parent: Amino acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino acid - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as amino acids. These are organic compounds that contain at least one carboxyl group and one amino group.
• 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 (25°C) In vitro
• Sensitivity: air sensitive；light sensitive
• Molecular Weight: 207.220 g/mol
• XLogP3: -3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 207.111 Da
• Monoisotopic Mass: 207.111 Da
• Topological Polar Surface Area: 91.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 142.000
• 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