| CAS Number | 1073666-57-5 |
| Catalog Number | AG00HAZY(AGN-PC-0WAGOP) |
| Chemical Name | 2-(3-Methanesulfonylphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 2-(3-methylsulfonylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H13NO2S.ClH/c1-13(11,12)9-4-2-3-8(7-9)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H |
| InChI Key | XHQYVBTUMQRDHK-UHFFFAOYSA-N |
| MDL Number | MFCD27986815 |
| Molecular Formula | C9H14ClNO2S |
| Molecular Weight | 235.7310 |
| SMILES | Cl.CS(C1=CC(CCN)=CC=C1)(=O)=O |
| Synonyms | 2-[3-(Methylsulfonyl)phenyl]ethylamine Hydrochloride,
1073666-57-5,
SCHEMBL15741790,
AKOS027256681,
SY028985,
2-[3-(Methylsulfonyl)phenyl]ethylamine HCl,
MFCD27986815 (95%),
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number