| CAS Number | 116599-33-8 |
| Catalog Number | AG01BCBI(AGN-PC-0WNMNQ) |
| Chemical Name | 4-((Methylamino)methyl)benzenesulfonamide hydrochloride |
| IUPAC Name | 4-(methylaminomethyl)benzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C8H12N2O2S.ClH/c1-10-6-7-2-4-8(5-3-7)13(9,11)12;/h2-5,10H,6H2,1H3,(H2,9,11,12);1H |
| InChI Key | SDFZFCMACVDSNI-UHFFFAOYSA-N |
| MDL Number | MFCD16712702 |
| Molecular Formula | C8H13ClN2O2S |
| Molecular Weight | 236.7190 |
| SMILES | Cl.CNCC1=CC=C(S(N)(=O)=O)C=C1 |
| Synonyms | 4-[(methylamino)methyl]benzene-1-sulfonamide hydrochloride,
116599-33-8,
|
| Complexity | 237 |
| 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 | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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