| CAS Number | 1909317-36-7 |
| Catalog Number | AG01C2KI |
| Chemical Name | 3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide hydrochloride |
| IUPAC Name | 3-(aminomethyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C10H16N2O2S.ClH/c1-8(2)12-15(13,14)10-5-3-4-9(6-10)7-11;/h3-6,8,12H,7,11H2,1-2H3;1H |
| InChI Key | KYHUMJPAVXNEDF-UHFFFAOYSA-N |
| MDL Number | MFCD29055030 |
| Molecular Formula | C10H17ClN2O2S |
| Molecular Weight | 264.7722 |
| SMILES | Cl.CC(NS(C1=CC(CN)=CC=C1)(=O)=O)C |
| Synonyms | 1909317-36-7,
3-(aminomethyl)-N-(propan-2-yl)benzene-1-sulfonamide hydrochloride,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.768g/mol |
| Monoisotopic Mass | 264.07g/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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