Determine the necessary mass, volume, or concentration for preparing a solution.
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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.
| ALogP | 1.7 |
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| Canonical Smiles | C1CN(CCN1C2=CC=C(C=C2)N)C(=O)C3=CC=CO3 |
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| IUPAC Name | [4-(4-aminophenyl)piperazin-1-yl]-(furan-2-yl)methanone |
| InChIKey | ZTUZXUBGODXJRI-UHFFFAOYSA-N |
| INCHI | 1S/C15H17N3O2/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10,16H2 |
| Isomeric SMILES | C1CN(CCN1C2=CC=C(C=C2)N)C(=O)C3=CC=CO3 |
| PubChem CID | 935439 |
| Molecular Weight | 271.31 |
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 | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Furoic acid and derivatives Dialkylarylamines Aniline and substituted anilines 2-heteroaryl carboxamides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - 2-heteroaryl carboxamide - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
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| Molecular Weight | 271.310 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 271.132 Da |
| Monoisotopic Mass | 271.132 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 334.000 |
| 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 |