| CAS Number | 1157112-20-3 |
| Catalog Number | AG01A9XK |
| Chemical Name | 3-[1-(methylamino)ethyl]benzene-1-sulfonamide |
| IUPAC Name | 3-[1-(methylamino)ethyl]benzenesulfonamide |
| InChI | InChI=1S/C9H14N2O2S/c1-7(11-2)8-4-3-5-9(6-8)14(10,12)13/h3-7,11H,1-2H3,(H2,10,12,13) |
| InChI Key | LQJZTOQTNYSZOQ-UHFFFAOYSA-N |
| MDL Number | MFCD14705777 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | CNC(C1=CC(S(N)(=O)=O)=CC=C1)C |
| Synonyms | 3-[1-(methylamino)ethyl]benzene-1-sulfonamide,
1157112-20-3,
AC1Q40SE,
AKOS009085245,
NE26521,
EN300-66480,
Z163712124,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.283g/mol |
| Monoisotopic Mass | 214.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number