| CAS Number | 1210682-18-0 |
| Catalog Number | AG019X4L |
| Chemical Name | 5-Chloro-2-(4-methylpiperazin-1-yl)aniline dihydrochloride |
| IUPAC Name | 5-chloro-2-(4-methylpiperazin-1-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C11H16ClN3.2ClH/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13;;/h2-3,8H,4-7,13H2,1H3;2*1H |
| InChI Key | WTZBJJRGEWMWJF-UHFFFAOYSA-N |
| MDL Number | MFCD13195988 |
| Molecular Formula | C11H18Cl3N3 |
| Molecular Weight | 298.6397 |
| SMILES | Cl.Cl.CN1CCN(C2=C(N)C=C(Cl)C=C2)CC1 |
| Synonyms | 5-chloro-2-(4-methylpiperazin-1-yl)aniline dihydrochloride,
1210682-18-0,
AC1Q3AIX,
CTK6I3053,
NE15725,
EN300-54033,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.636g/mol |
| Monoisotopic Mass | 297.057g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number