≥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 | CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 |
|---|---|
| IUPAC Name | tert-butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate |
| InChIKey | CGGFQFNDYKSSJB-UHFFFAOYSA-N |
| INCHI | 1S/C18H22N4O4/c1-18(2,3)26-17(23)21-11-9-20(10-12-21)15-7-6-14(22(24)25)13-5-4-8-19-16(13)15/h4-8H,9-12H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3 |
| Molecular Weight | 358.4 |
| Reaxy-Rn | 37384942 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37384942&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | N-arylpiperazines Aminoquinolines and derivatives Piperazine carboxylic acids Dialkylarylamines Nitroaromatic compounds Pyridines and derivatives Benzenoids Carbamate esters Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroquinoline - N-arylpiperazine - Aminoquinoline - Piperazine-1-carboxylic acid - Nitroaromatic compound - Dialkylarylamine - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Organic nitro compound - C-nitro compound - Tertiary amine - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic salt - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic cation - 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 | 358.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 358.164 Da |
| Monoisotopic Mass | 358.164 Da |
| Topological Polar Surface Area | 91.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 522.000 |
| 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 |
