≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(CCN1CC(=O)NC2=CC=C(C=C2)Br)C(=O)N3CCOCC3 |
|---|---|
| IUPAC Name | N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide |
| InChIKey | MEOBVJOLHUYISV-UHFFFAOYSA-N |
| INCHI | 1S/C17H23BrN4O3/c18-14-1-3-15(4-2-14)19-16(23)13-20-5-7-21(8-6-20)17(24)22-9-11-25-12-10-22/h1-4H,5-13H2,(H,19,23) |
| Molecular Weight | 411.300 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | N-piperazineacetamides Piperazine carboxamides Anilides Morpholine carboxylic acids and derivatives N-arylamides N-alkylpiperazines Bromobenzenes Aryl bromides Ureas Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - N-piperazineacetamide - Morpholine-4-carboxylic acid or derivatives - Piperazine-1-carboxamide - Anilide - N-arylamide - Bromobenzene - Halobenzene - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Morpholine - Oxazinane - Piperazine - Benzenoid - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 411.300 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 410.095 Da |
| Monoisotopic Mass | 410.095 Da |
| Topological Polar Surface Area | 65.099 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 457.000 |
| 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 |
![N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide - ≥98% , CAS No.691398-62-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)