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3-(((4-Fluorophenyl)sulfonyl)methyl)piperidine hydrochloride , CAS No.1289388-58-4
AVAILABLE TO ORDER
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | C1CC(CNC1)CS(=O)(=O)C2=CC=C(C=C2)F.Cl |
|---|---|
| IUPAC Name | 3-[(4-fluorophenyl)sulfonylmethyl]piperidine;hydrochloride |
| InChIKey | KUNVJZAHJALGKC-UHFFFAOYSA-N |
| INCHI | 1S/C12H16FNO2S.ClH/c13-11-3-5-12(6-4-11)17(15,16)9-10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-9H2;1H |
| Isomeric SMILES | C1CC(CNC1)CS(=O)(=O)C2=CC=C(C=C2)F.Cl |
| PubChem CID | 60137749 |
| Molecular Weight | 293.78 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 293.790 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 293.065 Da |
| Monoisotopic Mass | 293.065 Da |
| Topological Polar Surface Area | 54.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 331.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
Solution Calculators
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