≥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.
| Canonical Smiles | CC(C)(C)OC(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl |
|---|---|
| IUPAC Name | tert-butyl N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]carbamate |
| InChIKey | LDQCWGIXZGDJNL-UHFFFAOYSA-N |
| INCHI | 1S/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29) |
| Molecular Weight | 456.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Dichlorobenzenes Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Aryl chlorides Carbamate esters Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - 1,2-dichlorobenzene - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic oxide - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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 |
| Molecular Weight | 456.400 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 455.211 Da |
| Monoisotopic Mass | 455.211 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 541.000 |
| 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 | 1 |
![trans-N-tert-Butoxycarbonyl-4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexanamine - ≥95% , CAS No.506427-91-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)