| CAS Number | 1787855-08-6 |
| Catalog Number | AG01BF8I |
| Chemical Name | 4-(aminomethyl)-2-methylbenzene-1-sulfonamide hydrochloride |
| IUPAC Name | 4-(aminomethyl)-2-methylbenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C8H12N2O2S.ClH/c1-6-4-7(5-9)2-3-8(6)13(10,11)12;/h2-4H,5,9H2,1H3,(H2,10,11,12);1H |
| InChI Key | WVFJGTLWNURUQH-UHFFFAOYSA-N |
| MDL Number | MFCD28118525 |
| Molecular Formula | C8H13ClN2O2S |
| Molecular Weight | 236.7190 |
| SMILES | Cl.CC1=C(S(N)(=O)=O)C=CC(CN)=C1 |
| Synonyms | 4-(aminomethyl)-2-methylbenzene-1-sulfonamide hydrochloride,
1787855-08-6,
AKOS033648978,
Z1889917052,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.714g/mol |
| Monoisotopic Mass | 236.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number