m-PEG12-azide - ≥98% , CAS No.89485-61-0

CAS: 89485-61-0 Cat. No.: M595375 분자식: N₃CH₂CH₂(OCH₂CH₂)nOCH₃

등급 & 순도 ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

m-PEG12-azide is a PEG derivative containing an azide group. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The hydrophilic PEG spacer increases solubility in aqueous media.

사양

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

정식 스마일

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

IUPAC Name

1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane

InChIKey

FXVJBKLBTILMNA-UHFFFAOYSA-N

INCHI

1S/C25H51N3O12/c1-29-4-5-31-8-9-33-12-13-35-16-17-37-20-21-39-24-25-40-23-22-38-19-18-36-15-14-34-11-10-32-7-6-30-3-2-27-28-26/h2-25H2,1H3

이성체 SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

WGK 독일

3

Reaxy-Rn

19469670

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19469670&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • 분류 Allyl-type 1,3-dipolar organic compounds
      • Subclass Azo imides

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• 분류: Allyl-type 1,3-dipolar organic compounds
• Subclass: Azo imides
• Intermediate Tree Nodes: Not available
• Direct Parent: Azo imides
• Alternative Parents: Azo compounds Dialkyl ethers Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Azo imide - Azo compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic cation - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as azo imides. These are n-Imides of azo compounds, analogous to azoxy compounds, having a delocalized structure.
• 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

화학 및 물리적 특성

• 용해성: Solubility in Water, DMSO, DCM, DMF
• 발화점(°C): >110°C
• 분자량: 585.700 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 36
• Exact Mass: 585.347 Da
• Monoisotopic Mass: 585.347 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 519.000
• 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