| CAS Number | 890-58-4 |
| Catalog Number | AG01A29W |
| Chemical Name | 5-amino-2-chloro-N-[2-(diethylamino)ethyl]benzamide |
| IUPAC Name | 5-amino-2-chloro-N-[2-(diethylamino)ethyl]benzamide |
| InChI | InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)11-9-10(15)5-6-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18) |
| InChI Key | MHDKMRSSHCIOKM-UHFFFAOYSA-N |
| MDL Number | MFCD09742311 |
| Molecular Formula | C13H20ClN3O |
| Molecular Weight | 269.7704 |
| SMILES | CCN(CCNC(C1=C(Cl)C=CC(N)=C1)=O)CC |
| Synonyms | 5-AMINO-2-CHLORO-N-[2-(DIETHYLAMINO)ETHYL]BENZAMIDE,
890-58-4,
CTK6E8322,
ZINC19260427,
AKOS000149641,
MCULE-7543270874,
NE39815,
Z1497648697,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.773g/mol |
| Monoisotopic Mass | 269.129g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number