≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | COC1=CC=C(C=C1)CN2CCN(CC2)C3=C(C=CC=N3)C(=O)O |
|---|---|
| IUPAC Name | 2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid |
| InChIKey | UQDWQMMXZPVSIX-UHFFFAOYSA-N |
| INCHI | 1S/C18H21N3O3/c1-24-15-6-4-14(5-7-15)13-20-9-11-21(12-10-20)17-16(18(22)23)3-2-8-19-17/h2-8H,9-13H2,1H3,(H,22,23) |
| Peso molecular | 327.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Pyridinecarboxylic acids Benzylamines Anisoles Phenylmethylamines Phenoxy compounds Dialkylarylamines Methoxybenzenes Aralkylamines Alkyl aryl ethers Aminopyridines and derivatives N-alkylpiperazines Imidolactams Heteroaromatic compounds Vinylogous amides Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Phenoxy compound - Anisole - Dialkylarylamine - Methoxybenzene - Phenylmethylamine - Phenol ether - Benzylamine - Aralkylamine - Aminopyridine - N-alkylpiperazine - Alkyl aryl ether - Imidolactam - Pyridine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Peso molecular | 327.400 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 327.158 Da |
| Monoisotopic Mass | 327.158 Da |
| Topological Polar Surface Area | 65.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 404.000 |
| 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 |
![2-{4-[(4-Methoxyphenyl)methyl]piperazin-1-yl}pyridine-3-carboxylic acid - ≥98% CAS No(247117-88-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M998107.jpg)