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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-(Tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one , CAS No.1193779-34-8
Synonyms
4-Chlorobupropion | 2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one | 0RT1GZ9I8Z | 4-Chlorobupropion [USP] | UNII-0RT1GZ9I8Z | 2-(tert-Butylamino)-3,4-dichloropropiophenone | 1-(3,4-Dichlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone | 1-Propa
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4-Chlorobupropion | 2-(tert-butylamino)-1-(3, 4-dichlorophenyl)propan-1-one | 0RT1GZ9I8Z | 4-Chlorobupropion [USP] | UNII-0RT1GZ9I8Z | 2-(tert-Butylamino)-3, 4-dichloropropiophenone | 1-(3, 4-Dichlorophenyl)-2-((1, 1-dimethylethyl)amino)-1-propanone | 1-Propa
Product Properties Names and Identifiers Canonical Smiles CC(C(=O)C1=CC(=C(C=C1)Cl)Cl)NC(C)(C)C IUPAC Name 2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one InChIKey MXUDEADPGZWZCH-UHFFFAOYSA-N INCHI 1S/C13H17Cl2NO/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3 Isomeric SMILES CC(C(=O)C1=CC(=C(C=C1)Cl)Cl)NC(C)(C)C PubChem CID 45487890 Molecular Weight 274.18
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification 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 Phenylpropanes Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides Alpha-amino ketones Dialkylamines Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Phenylpropane - Benzoyl - 1,2-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 274.180 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 273.069 Da Monoisotopic Mass 273.069 Da Topological Polar Surface Area 29.100 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 275.000 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 1
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