| CAS Number | 1346598-72-8 |
| Catalog Number | AG009X8U(AGN-PC-0WOYB0) |
| Chemical Name | 2-(tert-Butylamino)-3’,4’-dichloropropiophenone Hydrochloride |
| IUPAC Name | 2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one;hydrochloride |
| InChI | InChI=1S/C13H17Cl2NO.ClH/c1-8(16-13(2,3)4)12(17)9-5-6-10(14)11(15)7-9;/h5-8,16H,1-4H3;1H |
| InChI Key | YFAPNLTUNVYSBO-UHFFFAOYSA-N |
| MDL Number | MFCD22683736 |
| Molecular Formula | C13H18Cl3NO |
| Molecular Weight | 310.6471 |
| SMILES | Cl.CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 |
| Synonyms | 2-(tert-Butylamino)-3',4'-dichloropropiophenone Hydrochloride,
1346598-72-8,
AKOS027323598,
3,4-Dichloro Bupropion hydrochloride salt,
A1-06448,
1-(3,4-Dichlorophenyl)-2-[(1,1-dimethylethyl)amino]-1-propanone Hydrochloride,
1193779-34-8,
YFAPNLTUNVYSBO-UHFFFAOYSA-N,
4-chloro bupropion impurity HCL Salt,
CS-O-16004,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.643g/mol |
| Monoisotopic Mass | 309.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number