| CAS Number | 1171547-81-1 |
| Catalog Number | AG019LO3 |
| Chemical Name | 2-(4-methylpiperazin-1-yl)-5-(morpholine-4-sulfonyl)aniline dihydrochloride |
| IUPAC Name | 2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline;dihydrochloride |
| InChI | InChI=1S/C15H24N4O3S.2ClH/c1-17-4-6-18(7-5-17)15-3-2-13(12-14(15)16)23(20,21)19-8-10-22-11-9-19;;/h2-3,12H,4-11,16H2,1H3;2*1H |
| InChI Key | NLESJJGWLADSSA-UHFFFAOYSA-N |
| MDL Number | MFCD09971589 |
| Molecular Formula | C15H26Cl2N4O3S |
| Molecular Weight | 413.3629 |
| SMILES | Cl.Cl.CN1CCN(C2=C(N)C=C(S(N3CCOCC3)(=O)=O)C=C2)CC1 |
| Synonyms | 1171547-81-1,
2-(4-methylpiperazin-1-yl)-5-(morpholin-4-ylsulfonyl)aniline dihydrochloride,
2-(4-methylpiperazin-1-yl)-5-(morpholine-4-sulfonyl)aniline dihydrochloride,
2-(4-Methylpiperazin-1-yl)-5-(morpholinosulfonyl)aniline dihydrochloride,
AC1Q3AIW,
CTK6I3058,
NE19182,
EN300-31930,
|
| Complexity | 481 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.358g/mol |
| Monoisotopic Mass | 412.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number