≥95% 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.
| Pubchem Sid | 504771326 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771326 |
| Canonical Smiles | C1CCN(CC1)C2CCCCC2NC3=C(C(=O)C3=O)NC4=CC=C(C=C4)C(F)(F)F |
| IUPAC Name | 3-[[(1S,2S)-2-piperidin-1-ylcyclohexyl]amino]-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione |
| InChIKey | JRSCPJJNZMRAQS-IRXDYDNUSA-N |
| INCHI | 1S/C22H26F3N3O2/c23-22(24,25)14-8-10-15(11-9-14)26-18-19(21(30)20(18)29)27-16-6-2-3-7-17(16)28-12-4-1-5-13-28/h8-11,16-17,26-27H,1-7,12-13H2/t16-,17-/m0/s1 |
| Isomeric SMILES | C1CCN(CC1)[C@H]2CCCC[C@@H]2NC3=C(C(=O)C3=O)NC4=CC=C(C=C4)C(F)(F)F |
| PubChem CID | 54589687 |
| Molecular Weight | 421.5 |
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 →| Molecular Weight | 421.500 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 421.198 Da |
| Monoisotopic Mass | 421.198 Da |
| Topological Polar Surface Area | 61.400 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 692.000 |
| 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 | 1 |
![3-[[(1S,2S)-2-(1-Piperidinyl)cyclohexyl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione - ≥95% CAS No(1312991-08-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/2/S281515.png)
H2112303