≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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 | CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide |
| InChIKey | LSQRHFSGOUDQDS-UHFFFAOYSA-N |
| INCHI | 1S/C14H20N4O3/c1-15-7-9-17(10-8-15)11-14(19)16(2)12-3-5-13(6-4-12)18(20)21/h3-6H,7-11H2,1-2H3 |
| Isomeric SMILES | CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)[N+](=O)[O-] |
| Alternate CAS | 1139453-98-7 |
| Molecular Weight | 292.33 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-piperazineacetamides |
| Alternative Parents | Alpha amino acids and derivatives Nitrobenzenes Anilides Nitroaromatic compounds N-methylpiperazines Tertiary carboxylic acid amides Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - N-piperazineacetamide - Nitrobenzene - Anilide - Nitroaromatic compound - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Amine - Carbonyl group - Organic salt - Organic zwitterion - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-piperazineacetamides. These are heterocyclic compounds containing a piperazine ring, which N-substituted with an acetamide group. |
| External Descriptors | Not available |
| Molecular Weight | 292.330 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 292.154 Da |
| Monoisotopic Mass | 292.154 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 369.000 |
| 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 |
