| CAS Number | 1155562-08-5 |
| Catalog Number | AG019TQL |
| Chemical Name | 2-(ethanesulfonyl)-N-ethylaniline |
| IUPAC Name | N-ethyl-2-ethylsulfonylaniline |
| InChI | InChI=1S/C10H15NO2S/c1-3-11-9-7-5-6-8-10(9)14(12,13)4-2/h5-8,11H,3-4H2,1-2H3 |
| InChI Key | OZBUTMSQPWOQIV-UHFFFAOYSA-N |
| MDL Number | MFCD12173991 |
| Molecular Formula | C10H15NO2S |
| Molecular Weight | 213.2966 |
| SMILES | CCNC1=C(S(CC)(=O)=O)C=CC=C1 |
| Synonyms | 2-(ethanesulfonyl)-N-ethylaniline,
1155562-08-5,
ZINC35348479,
AKOS009498166,
MCULE-5911218893,
NE18002,
Z1333043415,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.295g/mol |
| Monoisotopic Mass | 213.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number