| CAS Number | 1817776-68-3 |
| Catalog Number | AG01DGZ2 |
| Chemical Name | (6-(Ethylsulfonyl)Pyridin-3-yl)Methanamine Hydrochloride |
| IUPAC Name | (6-ethylsulfonylpyridin-3-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H12N2O2S.ClH/c1-2-13(11,12)8-4-3-7(5-9)6-10-8;/h3-4,6H,2,5,9H2,1H3;1H |
| InChI Key | DHWDJRFTFMDDEM-UHFFFAOYSA-N |
| MDL Number | MFCD29059406 |
| Molecular Formula | C8H13ClN2O2S |
| Molecular Weight | 236.7190 |
| SMILES | NCc1ccc(nc1)S(=O)(=O)CC.Cl |
| Synonyms | 1817776-68-3,
(6-(Ethylsulfonyl)pyridin-3-yl)methanamine hydrochloride,
(6-(Ethylsulfonyl)pyridin-3-yl)methanamine HCl,
MFCD29059406,
AS-54967,
CS-0039794,
(6-ethylsulfonylpyridin-3-yl)methanaminehydrochloride,
|
| Complexity | 245 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.714g/mol |
| Monoisotopic Mass | 236.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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