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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)CCCS(=O)(=O)Cl |
|---|---|
| IUPAC Name | 3-(4-methylpiperazin-1-yl)propane-1-sulfonyl chloride |
| InChIKey | MLCQNQMRSGNESB-UHFFFAOYSA-N |
| INCHI | 1S/C8H17ClN2O2S/c1-10-4-6-11(7-5-10)3-2-8-14(9,12)13/h2-8H2,1H3 |
| Molecular Weight | 240.75 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | N-alkylpiperazines |
| Direct Parent | N-methylpiperazines |
| Alternative Parents | Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | N-methylpiperazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organosulfur compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-methylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries a methyl group. |
| External Descriptors | Not available |
| Molecular Weight | 240.750 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 240.07 Da |
| Monoisotopic Mass | 240.07 Da |
| Topological Polar Surface Area | 49.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 255.000 |
| 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 |