≥97% 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 | C1CC(CCC1C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-])O |
|---|---|
| IUPAC Name | 4-(5-nitroquinolin-6-yl)cyclohexan-1-ol |
| InChIKey | BNTXCDKSVPDJNE-UHFFFAOYSA-N |
| INCHI | 1S/C15H16N2O3/c18-11-5-3-10(4-6-11)12-7-8-14-13(2-1-9-16-14)15(12)17(19)20/h1-2,7-11,18H,3-6H2 |
| Isomeric SMILES | C1CC(CCC1C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-])O |
| PubChem CID | 46739464 |
| Molecular Weight | 272.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Nitroaromatic compounds Cyclohexanols Pyridines and derivatives Benzenoids Heteroaromatic compounds Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroquinoline - Nitroaromatic compound - Cyclohexanol - Pyridine - Benzenoid - Cyclic alcohol - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Secondary alcohol - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic zwitterion - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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 | 272.300 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 272.116 Da |
| Monoisotopic Mass | 272.116 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| 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 |
