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11-Azido-3,6,9-trioxaundecanoic Acid - >97.0%(T), high purity , CAS No.172531-37-2
Basic Description
Synonyms
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic Acid | SY054116 | Azido-PEG3-carboxylate | 2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}acetic acid | A903073 | DTXSID70448112 | BP-23615 | GIXBCECBLAEYKA-UHFFFAOYSA-N | N3-PEG3-CH2COOH | AKOS025294713 | Azido-PEG3-CH2C
Specifications & Purity
≥97%(T)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Azo imides
Intermediate Tree Nodes
Not available
Direct Parent
Azo imides
Alternative Parents
Azo compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Azo compound - Azo imide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
Description
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.
Names and Identifiers
Pubchem Sid
488196919
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488196919
IUPAC Name
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetic acid
INCHI
InChI=1S/C8H15N3O5/c9-11-10-1-2-14-3-4-15-5-6-16-7-8(12)13/h1-7H2,(H,12,13)
InChIKey
GIXBCECBLAEYKA-UHFFFAOYSA-N
Smiles
C(COCCOCCOCC(=O)O)N=[N+]=[N-]
Isomeric SMILES
C(COCCOCCOCC(=O)O)N=[N+]=[N-]
Molecular Weight
233.22
Reaxy-Rn
4871055
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4871055&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.47
Molecular Weight
233.220 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
11
Exact Mass
233.101 Da
Monoisotopic Mass
233.101 Da
Topological Polar Surface Area
79.400 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
230.000
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
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C2307048