≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
SSD114 hydrochloride is a positive allosteric modulator (PAM) of GABAB receptor.
| Pubchem Sid | 528767204 |
|---|---|
| Kanonisches Lächeln | COC1=NC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)NC3CCCCC3.Cl |
| IUPAC Name | N-cyclohexyl-4-methoxy-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride |
| InChIKey | YXQSTPASDICGCA-UHFFFAOYSA-N |
| INCHI | 1S/C18H20F3N3O.ClH/c1-25-16-11-15(12-7-9-13(10-8-12)18(19,20)21)23-17(24-16)22-14-5-3-2-4-6-14;/h7-11,14H,2-6H2,1H3,(H,22,23,24);1H |
| PubChem CID | 131839612 |
| Molekulargewicht | 387.83 |
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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Secondary alkylarylamines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Datum | Artikel |
|---|---|---|---|
 B2426362 | Certificate of Analysis | Jan 16, 2024 | S412992 |
| B2426363 | Certificate of Analysis | Jan 16, 2024 | S412992 |
| B2426364 | Certificate of Analysis | Jan 16, 2024 | S412992 |
| B2426365 | Certificate of Analysis | Jan 16, 2024 | S412992 |
| B2426366 | Certificate of Analysis | Jan 16, 2024 | S412992 |
| B2426367 | Certificate of Analysis | Jan 16, 2024 | S412992 |
| B2426370 | Certificate of Analysis | Jan 16, 2024 | S412992 |
| Empfindlichkeit | Moisture sensitive |
|---|---|
| Molekulargewicht | 387.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 387.133 Da |
| Monoisotopic Mass | 387.133 Da |
| Topological Polar Surface Area | 47.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| 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. Lei Tang, Zhaoyuan Guo, Quan Zhao, Xi Fan, Yuji Pu, Bin He, Jianlin Chen. (2024) A Biodegradable Janus Sponge for Negative Pressure Wound Therapy. BIOMACROMOLECULES, [PMID:38547378] [10.1021/acs.biomac.4c00046] |
