10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)[O-].[Na+] |
|---|---|
| IUPAC Name | sodium;2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-chlorobenzoate |
| InChIKey | JSHSGBIWNPQCQZ-UHFFFAOYSA-M |
| INCHI | 1S/C28H28ClN3O5.Na/c29-22-11-12-24(23(17-22)28(35)36)30-25(33)18-37-19-26(34)31-13-15-32(16-14-31)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-12,17,27H,13-16,18-19H2,(H,30,33)(H,35,36);/q;+1/p-1 |
| Isomeric SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)[O-].[Na+] |
| PubChem CID | 53240409 |
| Molecular Weight | 543.97 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Acylaminobenzoic acid and derivatives Halobenzoic acids 3-halobenzoic acids Anilides Benzoic acids Benzoyl derivatives N-arylamides Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Carboxylic acid salts Trialkylamines Organic metal halides Azacyclic compounds Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Organochlorides Organic zwitterions Organic sodium salts Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Diphenylmethane - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Anilide - Benzoic acid - Benzoyl - N-arylamide - Halobenzene - Aralkylamine - Chlorobenzene - N-alkylpiperazine - Piperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid salt - Tertiary amine - Amino acid - Organic metal halide - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Amine - Organic sodium salt - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 544.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 543.154 Da |
| Monoisotopic Mass | 543.154 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 752.000 |
| 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 | 2 |
