Ald-Ph-PEG2-NH-Boc - ≥95% , CAS No.1807503-90-7

CAS: 1807503-90-7 Cat. No.: A597055 Molecular Weight: 380.4 PubChem CID: 86291524

GRADE & PURITY ≥95%

Synonyms

AKOS040741073 | BP-22382 | 1807503-90-7 | DTXSID701123127 | F82569 | HY-140636 | tert-butyl (2-(2-(2-(4-formylbenzamido)ethoxy)ethoxy)ethyl)carbamate | 5,8-Dioxa-2,11-diazadodecanoic acid, 12-(4-formylphenyl)-12-oxo-, 1,1-dimethylethyl ester | MS-26223 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Ald-Ph-PEG2-NH-Boc is a PEG derivative containing a benzaldehyde group which is able to undergo reactions with primary amines. The Boc protected amine can be deprotected under acidic conditions and then further reacted. The hydrophilic PEG linkers increase the water solubility of the compound in aqueous environments.

Specifications

Synonyms

AKOS040741073 | BP-22382 | 1807503-90-7 | DTXSID701123127 | F82569 | HY-140636 | tert-butyl (2-(2-(2-(4-formylbenzamido)ethoxy)ethoxy)ethyl)carbamate | 5, 8-Dioxa-2, 11-diazadodecanoic acid, 12-(4-formylphenyl)-12-oxo-, 1, 1-dimethylethyl ester | MS-26223 |

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)C=O
• IUPAC Name: tert-butyl N-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
• InChIKey: MSCITXKKGMUNOD-UHFFFAOYSA-N
• INCHI: 1S/C19H28N2O6/c1-19(2,3)27-18(24)21-9-11-26-13-12-25-10-8-20-17(23)16-6-4-15(14-22)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,23)(H,21,24)
• Isomeric SMILES: CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)C=O
• Alternate CAS: 1807503-90-7
• PubChem CID: 86291524
• Molecular Weight: 380.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Benzaldehydes Carbamate esters Secondary carboxylic acid amides Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzaldehyde - Benzoyl - Aryl-aldehyde - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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: 380.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 380.195 Da
• Monoisotopic Mass: 380.195 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 456.000
• 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