Ald-CH2-PEG3-azide - ≥98% , CAS No.1002342-83-7

CAS: 1002342-83-7 Cat. No.: A595303 Molecular Weight: 217.22 PubChem CID: 58596725

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ald-CH2-PEG3-azide is a PEG derivative containing aldehyde and azide moieties. Aldehyde groups are likely to undergo nucleophile substitution, reduction and oxidation reactions. The azide can participate in copper-catalyzed Click Chemistry reactions with alkynes, DBCO and BCN to form triazole groups. The hydrophilic PEG linker increases the water solubility of the compound in aqueous media.

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

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(COCCOCCOCC=O)N=[N+]=[N-]
• IUPAC Name: 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetaldehyde
• InChIKey: LSLQXIYUMNSETC-UHFFFAOYSA-N
• INCHI: 1S/C8H15N3O4/c9-11-10-1-3-13-5-7-15-8-6-14-4-2-12/h2H,1,3-8H2
• Isomeric SMILES: C(COCCOCCOCC=O)N=[N+]=[N-]
• PubChem CID: 58596725
• Molecular Weight: 217.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Class Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Class: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Azo compounds Dialkyl ethers Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo imide - Azo compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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 in Water, DMSO, DMF, DCM
• Molecular Weight: 217.220 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 217.106 Da
• Monoisotopic Mass: 217.106 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 194.000
• 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