Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | 488183386 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183386 |
| Canonical Smiles | CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl |
| IUPAC Name | 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one;hydrochloride |
| InChIKey | DYCKFEBIOUQECE-UHFFFAOYSA-N |
| INCHI | 1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H |
| Isomeric SMILES | CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl |
| WGK Germany | 3 |
| PubChem CID | 54911 |
| Molecular Weight | 506.47 |
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.
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jul 04, 2024 | N159830 | |
| Certificate of Analysis | Jul 04, 2024 | N159830 | |
| Certificate of Analysis | Dec 09, 2022 | N159830 | |
| Certificate of Analysis | Dec 09, 2022 | N159830 | |
| Certificate of Analysis | Nov 22, 2022 | N159830 | |
| Certificate of Analysis | Nov 22, 2022 | N159830 | |
| Certificate of Analysis | Nov 22, 2022 | N159830 | |
| Certificate of Analysis | Nov 22, 2022 | N159830 | |
| Certificate of Analysis | Nov 22, 2022 | N159830 |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 188 °C |
| Molecular Weight | 506.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 505.201 Da |
| Monoisotopic Mass | 505.201 Da |
| Topological Polar Surface Area | 51.600 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 649.000 |
| 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 |