≥97% 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.
| Pubchem Sid | 504757427 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757427 |
| Canonical Smiles | CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| IUPAC Name | ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate |
| InChIKey | VEVFSWCSRVJBSM-HOFKKMOUSA-N |
| INCHI | 1S/C27H30Cl2N4O5/c1-2-35-26(34)33-13-11-32(12-14-33)21-4-6-22(7-5-21)36-16-23-17-37-27(38-23,18-31-10-9-30-19-31)24-8-3-20(28)15-25(24)29/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,27-/m0/s1 |
| Isomeric SMILES | CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| Molecular Weight | 561.46 |
| Reaxy-Rn | 600530 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=600530&ln= |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Piperazine carboxylic acids Aminophenyl ethers Phenoxy compounds Imidazolyl carboxylic acids and derivatives Dichlorobenzenes Dialkylarylamines Aniline and substituted anilines Ketals Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Carbamate esters 1,3-dioxolanes Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Phenylpiperazine - Aminophenyl ether - Piperazine-1-carboxylic acid - Phenoxy compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Imidazolyl carboxylic acid derivative - 1,3-dichlorobenzene - Ketal - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Carbamic acid ester - Imidazole - Azole - Meta-dioxolane - Tertiary amine - Carbonic acid derivative - Oxacycle - Azacycle - Ether - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| 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 |
|---|---|---|---|
 G2117230 | Certificate of Analysis | May 17, 2024 | E304357 |
| G2117231 | Certificate of Analysis | May 16, 2024 | E304357 |
| G2117237 | Certificate of Analysis | May 16, 2024 | E304357 |
| G2117238 | Certificate of Analysis | May 16, 2024 | E304357 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 561.500 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 560.159 Da |
| Monoisotopic Mass | 560.159 Da |
| Topological Polar Surface Area | 78.300 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 768.000 |
| 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 |
