| CAS Number | 2137036-93-0 |
| Catalog Number | AG01EJB4 |
| Chemical Name | 4-[(1S)-1-aminoethyl]benzene-1-sulfonamide hydrochloride |
| IUPAC Name | 4-[(1S)-1-aminoethyl]benzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C8H12N2O2S.ClH/c1-6(9)7-2-4-8(5-3-7)13(10,11)12;/h2-6H,9H2,1H3,(H2,10,11,12);1H/t6-;/m0./s1 |
| InChI Key | KBEDWXLKBDLBEQ-RGMNGODLSA-N |
| MDL Number | MFCD31421727 |
| Molecular Formula | C8H13ClN2O2S |
| Molecular Weight | 236.7190 |
| SMILES | Cl.C[C@@H](C1=CC=C(S(N)(=O)=O)C=C1)N |
| Synonyms | 4-[(1S)-1-aminoethyl]benzene-1-sulfonamide hydrochloride,
2137036-93-0,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
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