| CAS Number | 1221726-22-2 |
| Catalog Number | AG019XWC |
| Chemical Name | 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]benzamide dihydrochloride |
| IUPAC Name | 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride |
| InChI | InChI=1S/C11H16ClN3O.2ClH/c1-15(2)6-5-14-11(16)8-3-4-9(12)10(13)7-8;;/h3-4,7H,5-6,13H2,1-2H3,(H,14,16);2*1H |
| InChI Key | YTDJVQOYNHVKLU-UHFFFAOYSA-N |
| MDL Number | MFCD13368227 |
| Molecular Formula | C11H18Cl3N3O |
| Molecular Weight | 314.6391 |
| SMILES | Cl.Cl.CN(CCNC(C1=CC(N)=C(Cl)C=C1)=O)C |
| Synonyms | 3-amino-4-chloro-N-[2-(dimethylamino)ethyl]benzamide dihydrochloride,
1221726-22-2,
AC1Q3AHJ,
CTK6I0872,
MCULE-3468353368,
NE37271,
EN300-56218,
Z1259340978,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.635g/mol |
| Monoisotopic Mass | 313.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number