Propargyl-PEG5-amine - ≥98% , CAS No.1589522-46-2

CAS: 1589522-46-2 Cat. No.: P595429 Formula: C₁₃H₂₅NO₅ Molecular Weight: 275.3 PubChem CID: 77078244

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Propargyl-PEG5-amine is a PEG derivative containing propargyl and amine moieties. The propargyl is commonly used as a Click Chemistry reagent for copper-catalyzed reactions with azides. The amine moiety reacts with carboxylic acids, activated NHS esters and other carbonyl compounds. 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#CCOCCOCCOCCOCCOCCN

IUPAC Name

2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine

InChIKey

BLBTXXAWMPTQOK-UHFFFAOYSA-N

INCHI

1S/C13H25NO5/c1-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h1H,3-14H2

Isomeric SMILES

C#CCOCCOCCOCCOCCOCCN

PubChem CID

77078244

Molecular Weight

275.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Acetylides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Dialkyl ether - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl 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

• Molecular Weight: 275.340 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 275.173 Da
• Monoisotopic Mass: 275.173 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 216.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1589522-46-2, the molecular formula is C13H25NO5, and the molecular weight is 275.3 g/mol. InChIKey BLBTXXAWMPTQOK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.