≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Acid functionalized cyclooctyne derivative. Cyclooctynes are useful in strain-promoted copper-free azide-alkyne click chemistry reactions. This azadibenzocyclooctyne will react with azide functionalized compounds or biomolecules without the need for a Cu(I) catalyst to result in a stable triazole linkage.Dibenzocyclooctyne-acid may be used for the surface modification of eight-arm poly(ethylene glycol), to make it susceptible to strain promoted alkyne-azide cycloaddition (SPAAC) with PEG-bis-azide leading to the formation of hydrogels. These hydrogels are useful for protein immobilization.
| Pubchem Sid | 504772400 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772400 |
| Canonical Smiles | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCCCC(=O)O |
| IUPAC Name | 6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoic acid |
| InChIKey | NIRLBCOFKPVQLM-UHFFFAOYSA-N |
| INCHI | 1S/C21H19NO3/c23-20(11-5-6-12-21(24)25)22-15-18-9-2-1-7-16(18)13-14-17-8-3-4-10-19(17)22/h1-4,7-10H,5-6,11-12,15H2,(H,24,25) |
| Isomeric SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCCCC(=O)O |
| Molecular Weight | 333.38 |
| Reaxy-Rn | 24693502 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24693502&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain fatty acids |
| Alternative Parents | Heterocyclic fatty acids Amino fatty acids Benzenoids Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2330399 | Certificate of Analysis | Sep 20, 2023 | D476225 |
| J2330400 | Certificate of Analysis | Sep 20, 2023 | D476225 |
| J2330401 | Certificate of Analysis | Sep 20, 2023 | D476225 |
| J2330402 | Certificate of Analysis | Sep 20, 2023 | D476225 |
| J2330403 | Certificate of Analysis | Sep 20, 2023 | D476225 |
| J2330404 | Certificate of Analysis | Sep 20, 2023 | D476225 |
| Sensitivity | Moisture sensitive; Heat sensitive |
|---|---|
| Melt Point(°C) | 118-125 °C |
| Molecular Weight | 333.400 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 333.136 Da |
| Monoisotopic Mass | 333.136 Da |
| Topological Polar Surface Area | 57.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 558.000 |
| 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 |
