| CAS Number | 1343656-29-0 |
| Catalog Number | AG01BCY4 |
| Chemical Name | 3-amino-1-(2,4-dichlorophenyl)piperidin-2-one |
| IUPAC Name | 3-amino-1-(2,4-dichlorophenyl)piperidin-2-one |
| InChI | InChI=1S/C11H12Cl2N2O/c12-7-3-4-10(8(13)6-7)15-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5,14H2 |
| InChI Key | UMCVLBNRWIHJCL-UHFFFAOYSA-N |
| MDL Number | MFCD19679356 |
| Molecular Formula | C11H12Cl2N2O |
| Molecular Weight | 259.1318 |
| SMILES | NC1C(=O)N(C2=C(Cl)C=C(Cl)C=C2)CCC1 |
| Synonyms | 3-amino-1-(2,4-dichlorophenyl)piperidin-2-one,
1343656-29-0,
AKOS013559771,
MCULE-7004686664,
NE45371,
Z1827898007,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.13g/mol |
| Monoisotopic Mass | 258.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number