| CAS Number | 1158998-59-4 |
| Catalog Number | AG01C2J9 |
| Chemical Name | 3-(aminomethyl)-N-ethylbenzene-1-sulfonamide hydrochloride |
| IUPAC Name | 3-(aminomethyl)-N-ethylbenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C9H14N2O2S.ClH/c1-2-11-14(12,13)9-5-3-4-8(6-9)7-10;/h3-6,11H,2,7,10H2,1H3;1H |
| InChI Key | DHFWLTDZXGXYLL-UHFFFAOYSA-N |
| MDL Number | MFCD29055017 |
| Molecular Formula | C9H15ClN2O2S |
| Molecular Weight | 250.7456 |
| SMILES | Cl.CCNS(C1=CC(CN)=CC=C1)(=O)=O |
| Synonyms | 1158998-59-4,
3-(aminomethyl)-N-ethylbenzene-1-sulfonamide hydrochloride,
Z2284392779,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.741g/mol |
| Monoisotopic Mass | 250.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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