≥97% 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.
| Canonical Smiles | CN(C)CCC(=O)C1=CC(=C(C=C1)Cl)Cl.Cl |
|---|---|
| IUPAC Name | 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride |
| InChIKey | PRRKQCKNKRZOPV-UHFFFAOYSA-N |
| INCHI | 1S/C11H13Cl2NO.ClH/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8;/h3-4,7H,5-6H2,1-2H3;1H |
| Isomeric SMILES | CN(C)CCC(=O)C1=CC(=C(C=C1)Cl)Cl.Cl |
| PubChem CID | 2876896 |
| NSC Number | NSC Number': ['304108 |
| Molecular Weight | 282.6 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Beta-amino ketones Aryl chlorides Trialkylamines Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoyl - 1,2-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - Aryl chloride - Tertiary amine - Tertiary aliphatic amine - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 282.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 281.014 Da |
| Monoisotopic Mass | 281.014 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| 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 |
