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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 | C1CN(CCN1CCO)C2=NC=C(C=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-[4-(5-nitropyridin-2-yl)piperazin-1-yl]ethanol |
| InChIKey | JNPCLGYWUHYNLR-UHFFFAOYSA-N |
| INCHI | 1S/C11H16N4O3/c16-8-7-13-3-5-14(6-4-13)11-2-1-10(9-12-11)15(17)18/h1-2,9,16H,3-8H2 |
| Isómeros SMILES | C1CN(CCN1CCO)C2=NC=C(C=C2)[N+](=O)[O-] |
| PubChem CID | 17609627 |
| Peso molecular | 252.28 |
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 Dialkylarylamines Nitroaromatic compounds Aminopyridines and derivatives N-alkylpiperazines Imidolactams Heteroaromatic compounds 1,2-aminoalcohols Trialkylamines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic zwitterions Primary alcohols Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Nitroaromatic compound - Dialkylarylamine - Aminopyridine - N-alkylpiperazine - Pyridine - Imidolactam - Heteroaromatic compound - 1,2-aminoalcohol - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkanolamine - Azacycle - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic salt - Alcohol - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic zwitterion - 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 | 252.270 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 252.122 Da |
| Monoisotopic Mass | 252.122 Da |
| Topological Polar Surface Area | 85.400 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 276.000 |
| 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 |