≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
Clenpenterol hydrochloride used as an analytical reference standard for the determination of the analyte in Human and bovine urine samples by isotope dilution liquid chromatography–tandem mass spectrometry (LC-MS/MS). Clenpenterol hydrochloride may be used as a reference standard in the determination of clenpenterol hydrochloride in hair samples using liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS).
| Canonical Smiles | CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl |
|---|---|
| IUPAC Name | 1-(4-amino-3,5-dichlorophenyl)-2-(2-methylbutan-2-ylamino)ethanol;hydrochloride |
| InChIKey | HJGDYFOIRCZBLH-UHFFFAOYSA-N |
| INCHI | 1S/C13H20Cl2N2O.ClH/c1-4-13(2,3)17-7-11(18)8-5-9(14)12(16)10(15)6-8;/h5-6,11,17-18H,4,7,16H2,1-3H3;1H |
| Isomeric SMILES | CCC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl |
| WGK Germany | 3 |
| Molecular Weight | 327.68 |
| Reaxy-Rn | 30545788 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30545788&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Aniline and substituted anilines Aralkylamines Aryl chlorides Secondary alcohols 1,2-aminoalcohols Dialkylamines Primary amines Organochlorides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,3-dichlorobenzene - Aniline or substituted anilines - Aralkylamine - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Aromatic alcohol - Alcohol - Organic oxygen compound - Amine - Hydrochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Molecular Weight | 327.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 326.072 Da |
| Monoisotopic Mass | 326.072 Da |
| Topological Polar Surface Area | 58.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
C2609454