| CAS Number | 855271-47-5 |
| Catalog Number | AG01B7RN |
| Chemical Name | [3-(ethanesulfonyl)phenyl]methanamine hydrochloride |
| IUPAC Name | (3-ethylsulfonylphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C9H13NO2S.ClH/c1-2-13(11,12)9-5-3-4-8(6-9)7-10;/h3-6H,2,7,10H2,1H3;1H |
| InChI Key | NJMOEQVZSBPVDR-UHFFFAOYSA-N |
| MDL Number | MFCD28246319 |
| Molecular Formula | C9H14ClNO2S |
| Molecular Weight | 235.7310 |
| SMILES | Cl.CCS(C1=CC(CN)=CC=C1)(=O)=O |
| Synonyms | [3-(ethanesulfonyl)phenyl]methanamine hydrochloride,
855271-47-5,
Z1992316399,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.726g/mol |
| Monoisotopic Mass | 235.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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