t-Boc-Aminooxy-PEG2-alcohol - ≥98% , CAS No.1807503-86-1

CAS: 1807503-86-1 Cat. No.: T596590 Molecular Weight: 221.3 PubChem CID: 77078164

GRADE & PURITY ≥98%

Synonyms

DTXSID901155108 | Boc-Aminooxy-PEG2 | TERT-BUTYL N-[2-(2-HYDROXYETHOXY)ETHOXY]CARBAMATE | BP-22259 | t-Boc-Aminooxy-PEG2-alcohol | t-Boc-Aminoxy-PEG2-alcohol | Carbamic acid, N-[2-(2-hydroxyethoxy)ethoxy]-, 1,1-dimethylethyl ester | SCHEMBL3329784 | MS-23

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

t-Boc-Aminooxy-PEG2-alcohol is a PEG derivative containing a Boc-protected aminooxy group and an alcohol group. The hydrophilic PEG spacer increases solubility in aqueous media. The protected aminooxy can be deprotected under mild acidic conditions and then can be reacted with an aldehyde or ketone group to form a stable oxime linkage. The hydroxyl group enables further derivatization or replacement with other reactive functional groups.

Specifications

Synonyms

DTXSID901155108 | Boc-Aminooxy-PEG2 | TERT-BUTYL N-[2-(2-HYDROXYETHOXY)ETHOXY]CARBAMATE | BP-22259 | t-Boc-Aminooxy-PEG2-alcohol | t-Boc-Aminoxy-PEG2-alcohol | Carbamic acid, N-[2-(2-hydroxyethoxy)ethoxy]-, 1, 1-dimethylethyl ester | SCHEMBL3329784 | MS-23

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)NOCCOCCO
• IUPAC Name: tert-butyl N-[2-(2-hydroxyethoxy)ethoxy]carbamate
• InChIKey: ZPZCGPKXSQMUKY-UHFFFAOYSA-N
• INCHI: 1S/C9H19NO5/c1-9(2,3)15-8(12)10-14-7-6-13-5-4-11/h11H,4-7H2,1-3H3,(H,10,12)
• Isomeric SMILES: CC(C)(C)OC(=O)NOCCOCCO
• Alternate CAS: 1807503-86-1
• PubChem CID: 77078164
• Molecular Weight: 221.3

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: Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Carbonyl group - Alcohol - 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: 221.250 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 221.126 Da
• Monoisotopic Mass: 221.126 Da
• Topological Polar Surface Area: 77.000 Ų
• Heavy Atom Count: 15
• 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