≥98% 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(CCC1O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 |
|---|---|
| IUPAC Name | 1-(5-nitroquinolin-8-yl)piperidin-4-ol |
| InChIKey | ROLSKNAOHRRYNI-UHFFFAOYSA-N |
| INCHI | 1S/C14H15N3O3/c18-10-5-8-16(9-6-10)13-4-3-12(17(19)20)11-2-1-7-15-14(11)13/h1-4,7,10,18H,5-6,8-9H2 |
| Isomeric SMILES | C1CN(CCC1O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 |
| PubChem CID | 46739262 |
| Molecular Weight | 273.3 |
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 | Quinolines and derivatives |
| Subclass | Nitroquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitroquinolines and derivatives |
| Alternative Parents | Aminoquinolines and derivatives Nitroaromatic compounds Dialkylarylamines Pyridines and derivatives Piperidines Benzenoids Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroquinoline - Aminoquinoline - Nitroaromatic compound - Dialkylarylamine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety. |
| External Descriptors | Not available |
| Molecular Weight | 273.290 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 273.111 Da |
| Monoisotopic Mass | 273.111 Da |
| Topological Polar Surface Area | 82.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |
