| CAS Number | 1017390-48-5 |
| Catalog Number | AG01C4JZ(AGN-PC-0WALP1) |
| Chemical Name | 2-ethyl-5-(morpholine-4-sulfonyl)aniline |
| IUPAC Name | 2-ethyl-5-morpholin-4-ylsulfonylaniline |
| InChI | InChI=1S/C12H18N2O3S/c1-2-10-3-4-11(9-12(10)13)18(15,16)14-5-7-17-8-6-14/h3-4,9H,2,5-8,13H2,1H3 |
| InChI Key | ORKJAVRRBBEFPD-UHFFFAOYSA-N |
| MDL Number | MFCD09900654 |
| Molecular Formula | C12H18N2O3S |
| Molecular Weight | 270.3479 |
| SMILES | CCC1=C(N)C=C(S(N2CCOCC2)(=O)=O)C=C1 |
| Synonyms | 2-ethyl-5-(morpholine-4-sulfonyl)aniline,
1017390-48-5,
ZINC11736849,
AKOS005862614,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.347g/mol |
| Monoisotopic Mass | 270.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number