≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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(CCN1CC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)O |
|---|---|
| IUPAC Name | 2-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one |
| InChIKey | OYBJWUZBIXUFSJ-UHFFFAOYSA-N |
| INCHI | 1S/C18H22N2O4/c21-13-15-10-16(22)18(23)17(24-15)12-20-8-6-19(7-9-20)11-14-4-2-1-3-5-14/h1-5,10,21,23H,6-9,11-13H2 |
| Isomeric SMILES | C1CN(CCN1CC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)O |
| PubChem CID | 1478119 |
| Molecular Weight | 330.38 |
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 | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Benzylamines Pyranones and derivatives N-alkylpiperazines Aralkylamines Heteroaromatic compounds Trialkylamines Cyclic ketones Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Pyranone - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyran - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
| Molecular Weight | 330.400 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 330.158 Da |
| Monoisotopic Mass | 330.158 Da |
| Topological Polar Surface Area | 73.200 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 515.000 |
| 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-benzylpiperazin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one - ≥90% , CAS No.866019-44-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)