Azido-PEG2-t-Boc-hydrazide - ≥98% , CAS No.2100306-56-5

CAS: 2100306-56-5 Cat. No.: A596373 Molecular Weight: 317.3 PubChem CID: 129009587

GRADE & PURITY ≥98%

Synonyms

MS-24682 | AKOS040741229 | HY-140816 | Hydrazinecarboxylic acid, 2-[3-[2-(2-azidoethoxy)ethoxy]-1-oxopropyl]-, 1,1-dimethylethyl ester | 3-[2-(2-azidoethoxy)ethoxy]-N'-[(tert-butoxy)carbonyl]propanehydrazide | Azido-PEG2-hydrazide-Boc | tert-butyl 2-(3-(2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Azido-PEG2-t-Boc-hydrazide is a PEG derivative containing an azide group and a Boc-protected hydrazide. The hydrophilic PEG spacer increases solubility in aqueous media. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The Boc can be deprotected under mild acidic conditions to form a reactive hydrazide, which can then be coupled with various carbonyl groups.

Specifications

Synonyms

MS-24682 | AKOS040741229 | HY-140816 | Hydrazinecarboxylic acid, 2-[3-[2-(2-azidoethoxy)ethoxy]-1-oxopropyl]-, 1, 1-dimethylethyl ester | 3-[2-(2-azidoethoxy)ethoxy]-N'-[(tert-butoxy)carbonyl]propanehydrazide | Azido-PEG2-hydrazide-Boc | tert-butyl 2-(3-(2

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: CC(C)(C)OC(=O)NNC(=O)CCOCCOCCN=[N+]=[N-]
• IUPAC Name: tert-butyl N-[3-[2-(2-azidoethoxy)ethoxy]propanoylamino]carbamate
• InChIKey: JYNHRXFEKXQQDG-UHFFFAOYSA-N
• INCHI: 1S/C12H23N5O5/c1-12(2,3)22-11(19)16-15-10(18)4-6-20-8-9-21-7-5-14-17-13/h4-9H2,1-3H3,(H,15,18)(H,16,19)
• Isomeric SMILES: CC(C)(C)OC(=O)NNC(=O)CCOCCOCCN=[N+]=[N-]
• Alternate CAS: 2100306-56-5
• PubChem CID: 129009587
• Molecular Weight: 317.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Hydrazinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrazinecarboxylic acid esters
• Alternative Parents: Organic carbonic acids and derivatives Carboxylic acid hydrazides Azo imides Azo compounds Dialkyl ethers Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrazinecarboxylic acid ester - Carbonic acid derivative - Carboxylic acid hydrazide - Azo imide - Azo compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrazinecarboxylic acid esters. These are ester derivatives of hydrazinecarboxylic acids.
• 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: 317.340 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 317.17 Da
• Monoisotopic Mass: 317.17 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 390.000
• 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