N-Benzyl-N-bis(PEG1-OH) - ≥98% , CAS No.119580-47-1

CAS: 119580-47-1 Cat. No.: N596306 Molecular Weight: 283.36

GRADE & PURITY ≥98%

Synonyms

N-Benzyl-N-bis-PEG2 | 2-(2-{benzyl[2-(2-hydroxyethoxy)ethyl]amino}ethoxy)ethan-1-ol | 2,2'-(((benzylazanediyl)bis(ethane-2,1-diyl))bis(oxy))bis(ethan-1-ol)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Overview

N-Benzyl-N-bis(PEG1-OH) is a PEG derivative that contains a benzyl-protected amine group and hydroxyl functional groups. The hydroxyl groups can be reacted to further derivatize the compound. The benzyl protecting group can be removed via hydrogenolysis. The hydrophilic PEG linker increases the water solubility of the compound.

Specifications

Synonyms

N-Benzyl-N-bis-PEG2 | 2-(2-{benzyl[2-(2-hydroxyethoxy)ethyl]amino}ethoxy)ethan-1-ol | 2, 2'-(((benzylazanediyl)bis(ethane-2, 1-diyl))bis(oxy))bis(ethan-1-ol)

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: C1=CC=C(C=C1)CN(CCOCCO)CCOCCO
• IUPAC Name: 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
• InChIKey: HBHHHXUOMCTWCK-UHFFFAOYSA-N
• INCHI: 1S/C15H25NO4/c17-8-12-19-10-6-16(7-11-20-13-9-18)14-15-4-2-1-3-5-15/h1-5,17-18H,6-14H2
• Isomeric SMILES: C1=CC=C(C=C1)CN(CCOCCO)CCOCCO
• Molecular Weight: 283.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Trialkylamines Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Alcohol - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 283.360 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 283.178 Da
• Monoisotopic Mass: 283.178 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 198.000
• 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