≥90% 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.
| Sonrisas canónicas | COC1=C(C=C(C=C1)CCN)Cl.Cl |
|---|---|
| IUPAC Name | 2-(3-chloro-4-methoxyphenyl)ethanamine;hydrochloride |
| InChIKey | VGUBBPZQDURYFN-UHFFFAOYSA-N |
| INCHI | 1S/C9H12ClNO.ClH/c1-12-9-3-2-7(4-5-11)6-8(9)10;/h2-3,6H,4-5,11H2,1H3;1H |
| Isómeros SMILES | COC1=C(C=C(C=C1)CCN)Cl.Cl |
| WGK Alemania | 3 |
| PubChem CID | 16217975 |
| Peso molecular | 222.11 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenethylamines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Quaternary ammonium salts Organochlorides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenethylamine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Quaternary ammonium salt - Ether - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Primary amine - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. |
| External Descriptors | Not available |
| Peso molecular | 222.110 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 221.037 Da |
| Monoisotopic Mass | 221.037 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 |
