| CAS Number | 1803605-57-3 |
| Catalog Number | AG01BHHI |
| Chemical Name | N-(2-aminoethyl)-4-fluoro-N-methylbenzene-1-sulfonamide hydrochloride |
| IUPAC Name | N-(2-aminoethyl)-4-fluoro-N-methylbenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C9H13FN2O2S.ClH/c1-12(7-6-11)15(13,14)9-4-2-8(10)3-5-9;/h2-5H,6-7,11H2,1H3;1H |
| InChI Key | GDXFZHADMPVUBQ-UHFFFAOYSA-N |
| MDL Number | MFCD28139633 |
| Molecular Formula | C9H14ClFN2O2S |
| Molecular Weight | 268.7361 |
| SMILES | Cl.CN(S(C1=CC=C(F)C=C1)(=O)=O)CCN |
| Synonyms | N-(2-aminoethyl)-4-fluoro-N-methylbenzene-1-sulfonamide hydrochloride,
1803605-57-3,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.731g/mol |
| Monoisotopic Mass | 268.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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