≥95% 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.
| Canonical Smiles | CCCCN1CCC(CC1)CCC(=O)C2=CC(=C(C=C2OC)N)Cl.Cl |
|---|---|
| IUPAC Name | 1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butylpiperidin-4-yl)propan-1-one;hydrochloride |
| InChIKey | XVBGLZNYWUUAFF-UHFFFAOYSA-N |
| INCHI | 1S/C19H29ClN2O2.ClH/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2;/h12-14H,3-11,21H2,1-2H3;1H |
| Isomeric SMILES | CCCCN1CCC(CC1)CCC(=O)C2=CC(=C(C=C2OC)N)Cl.Cl |
| Alternate CAS | 160845-95-4 |
| Molecular Weight | 389.36 |
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 | Butyrophenones Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Piperidines Aryl chlorides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Primary amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Methoxyaniline - Aminophenyl ether - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Piperidine - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Hydrochloride - Amine - Primary amine - Aromatic heteromonocyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2421498 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431497 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431499 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431500 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431501 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431502 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431503 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431504 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431505 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| E2431506 | Certificate of Analysis | Feb 21, 2024 | R288721 |
| Solubility | Solvent:water, Max Conc. mg/mL: 9.73, Max Conc. mM: 25 with gentle warming |
|---|---|
| Sensitivity | Moisture Sensitive |
| Molecular Weight | 389.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 388.168 Da |
| Monoisotopic Mass | 388.168 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 386.000 |
| 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 |
