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.
| Canonical Smiles | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O |
|---|---|
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| InChIKey | QDLKNPCHCJFKOJ-UHFFFAOYSA-N |
| INCHI | 1S/C26H31N3O11/c30-21-4-5-22(31)28(21)20-3-1-2-19(18-20)26(35)27-9-11-37-13-15-39-17-16-38-14-12-36-10-8-25(34)40-29-23(32)6-7-24(29)33/h1-5,18H,6-17H2,(H,27,35) |
| Isomeric SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)C2=CC(=CC=C2)N3C(=O)C=CC3=O |
| PubChem CID | 51341014 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Phenylpyrrolines Benzamides Benzoyl derivatives Maleimides Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboximides Pyrroles Amino acids and derivatives Lactams Secondary carboxylic acid amides Tertiary amines Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - 1-phenylpyrroline - Benzamide - Benzoyl - Maleimide - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Dicarboximide - Pyrrole - Pyrrolidine - Pyrroline - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
| Molecular Weight | 561.500 g/mol |
|---|---|
| XLogP3 | -1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 19 |
| Exact Mass | 561.196 Da |
| Monoisotopic Mass | 561.196 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 920.000 |
| 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 |
