≥97% 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.
| Sonrisas canónicas | CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCCNCC2.Cl |
|---|---|
| IUPAC Name | 1-(4-fluoro-2-methylsulfonylphenyl)-1,4-diazepane;hydrochloride |
| InChIKey | LTIDLTKBIAYGOX-UHFFFAOYSA-N |
| INCHI | 1S/C12H17FN2O2S.ClH/c1-18(16,17)12-9-10(13)3-4-11(12)15-7-2-5-14-6-8-15;/h3-4,9,14H,2,5-8H2,1H3;1H |
| Isómeros SMILES | CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCCNCC2.Cl |
| PubChem CID | 44717451 |
| Peso molecular | 308.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Dialkylarylamines Aniline and substituted anilines Fluorobenzenes 1,4-diazepanes Aryl fluorides Sulfones Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonyl group - Aniline or substituted anilines - Dialkylarylamine - 1,4-diazepane - Diazepane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfone - Sulfonyl - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
| Peso molecular | 308.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 308.076 Da |
| Monoisotopic Mass | 308.076 Da |
| Topological Polar Surface Area | 57.800 Ų |
| Heavy Atom Count | 19 |
| 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 | 2 |
![1-[4-Fluoro-2-(methylsulfonyl)phenyl]-homopiperazine hydrochloride - ≥97% CAS No(1185015-65-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/F/9/F989632.jpg)