| CAS Number | 1381944-82-6 |
| Catalog Number | AG009X7F(AGN-PC-0WA6VD) |
| Chemical Name | 2-Methoxy-4-(4-methylpiperazin-1-yl)aniline, trihydrochloride |
| IUPAC Name | 2-methoxy-4-(4-methylpiperazin-1-yl)aniline;trihydrochloride |
| InChI | InChI=1S/C12H19N3O.3ClH/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2;;;/h3-4,9H,5-8,13H2,1-2H3;3*1H |
| InChI Key | PQXFLOSXZJAJER-UHFFFAOYSA-N |
| MDL Number | MFCD22374999 |
| Molecular Formula | C12H22Cl3N3O |
| Molecular Weight | 330.6816 |
| SMILES | COc1cc(ccc1N)N1CCN(CC1)C.Cl.Cl.Cl |
| Synonyms | 1381944-82-6,
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline tri HCl,
C12H22Cl3N3O,
AKOS027257233,
V2854,
B-8775,
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline trihydrochloride,
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline, trihydrochloride,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.082845g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.7g/mol |
| Monoisotopic Mass | 329.082845g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number