≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
(1R,4S)-N-Desmethyl Sertraline Hydrochloride is a metabolite of Sertraline, and is used for treatment of CNS disorders.
| Canonical Smiles | C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N.Cl |
|---|---|
| IUPAC Name | (1R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride |
| InChIKey | YKXHIERZIRLOLD-DFIJPDEKSA-N |
| INCHI | 1S/C16H15Cl2N.ClH/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13;/h1-5,7,9,11,16H,6,8,19H2;1H/t11-,16+;/m0./s1 |
| Isomeric SMILES | C1C[C@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N.Cl |
| Alternate CAS | 675126-05-3 |
| PubChem CID | 25192248 |
| Molecular Weight | 328.66 |
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 | Benzenoids |
| Class | Tetralins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetralins |
| Alternative Parents | Dichlorobenzenes Aralkylamines Aryl chlorides Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tetralin - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organohalogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Primary amine - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2416576 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416577 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416578 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416579 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416591 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416592 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416593 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416594 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416595 | Certificate of Analysis | May 09, 2024 | R355517 |
| H2416596 | Certificate of Analysis | May 09, 2024 | R355517 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 270-272°C (lit.)(dec.) |
| Molecular Weight | 328.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 327.035 Da |
| Monoisotopic Mass | 327.035 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
