Propargyl-PEG4-amine - ≥98% , CAS No.1013921-36-2

CAS: 1013921-36-2 Cat. No.: P595821 Molecular Weight: 231.29 EC Number: 852-311-3 PubChem CID: 86580391

GRADE & PURITY ≥98%

Synonyms

HC inverted exclamation markOC-CH2-PEG4-NH2 | Amino-PEG4-alkyne | EN300-6491579 | AKOS040742475 | SY122557 | H2N-PEG4-Propyne | QDLPAHLHHBCWOW-UHFFFAOYSA-N | Propyne-PEG4-NH2 | Propargyl-PEG4-amine | Propyne-PEG4-amine | H11496 | SCHEMBL2552181 | 1-Amino-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Propargyl-PEG4-amine is a PEG derivative containing a propargyl group and an amine group. The amine group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The propargyl group can be reacted with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield a stable triazole linkage.

Specifications

Synonyms

HC inverted exclamation markOC-CH2-PEG4-NH2 | Amino-PEG4-alkyne | EN300-6491579 | AKOS040742475 | SY122557 | H2N-PEG4-Propyne | QDLPAHLHHBCWOW-UHFFFAOYSA-N | Propyne-PEG4-NH2 | Propargyl-PEG4-amine | Propyne-PEG4-amine | H11496 | SCHEMBL2552181 | 1-Amino-

Specifications & Purity

≥98%

Storage

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#CCOCCOCCOCCOCCN
• IUPAC Name: 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
• InChIKey: QDLPAHLHHBCWOW-UHFFFAOYSA-N
• INCHI: 1S/C11H21NO4/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1H,3-12H2
• Isomeric SMILES: C#CCOCCOCCOCCOCCN
• PubChem CID: 86580391
• Molecular Weight: 231.29

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

• Solubility: Solubility in Water, DMSO, DCM, DMF
• Sensitivity: Light sensitive
• Molecular Weight: 231.290 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 231.147 Da
• Monoisotopic Mass: 231.147 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 178.000
• 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