| CAS Number | 1423032-68-1 |
| Catalog Number | AG01A2HV |
| Chemical Name | 2-(4-Methanesulfonylphenyl)propan-1-amine hydrochloride |
| IUPAC Name | 2-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H15NO2S.ClH/c1-8(7-11)9-3-5-10(6-4-9)14(2,12)13;/h3-6,8H,7,11H2,1-2H3;1H |
| InChI Key | AHMPROPZDVXSNB-UHFFFAOYSA-N |
| MDL Number | MFCD22578591 |
| Molecular Formula | C10H16ClNO2S |
| Molecular Weight | 249.7575 |
| SMILES | Cl.CC(C1=CC=C(S(C)(=O)=O)C=C1)CN |
| Synonyms | 2-(4-methanesulfonylphenyl)propan-1-amine hydrochloride,
1423032-68-1,
AKOS030715221,
MCULE-8442530787,
Z1695921480,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.753g/mol |
| Monoisotopic Mass | 249.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number