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.
ST-836, dopamine receptor ligand; Antiparkinsonian agent .
| Canonical Smiles | CCCN(CCN1CCN(CC1)C2=CC=CC=C2OC)C3CCC4=C(C3)SC=N4 |
|---|---|
| IUPAC Name | N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine |
| InChIKey | RSWFSOOHVWOZQI-UHFFFAOYSA-N |
| INCHI | 1S/C23H34N4OS/c1-3-10-26(19-8-9-20-23(17-19)29-18-24-20)14-11-25-12-15-27(16-13-25)21-6-4-5-7-22(21)28-2/h4-7,18-19H,3,8-17H2,1-2H3 |
| Isomeric SMILES | CCCN(CCN1CCN(CC1)C2=CC=CC=C2OC)C3CCC4=C(C3)SC=N4 |
| PubChem CID | 42602909 |
| Molecular Weight | 414.61 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles N-alkylpiperazines Aralkylamines Alkyl aryl ethers Thiazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Dialkylarylamine - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Solubility | DMSO |
|---|---|
| Molecular Weight | 414.600 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 414.245 Da |
| Monoisotopic Mass | 414.245 Da |
| Topological Polar Surface Area | 60.100 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 487.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
