| CAS Number | 1788990-57-7 |
| Catalog Number | AG01BEPH(AGN-PC-0WOTGS) |
| Chemical Name | 3-methanesulfonylazepane hydrochloride |
| IUPAC Name | 3-methylsulfonylazepane;hydrochloride |
| InChI | InChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-4-2-3-5-8-6-7;/h7-8H,2-6H2,1H3;1H |
| InChI Key | IHSCKWVGASQXRR-UHFFFAOYSA-N |
| MDL Number | MFCD28118391 |
| Molecular Formula | C7H16ClNO2S |
| Molecular Weight | 213.7254 |
| SMILES | Cl.CS(C1CNCCCC1)(=O)=O |
| Synonyms | 3-methanesulfonylazepane hydrochloride,
1788990-57-7,
AKOS026743135,
Z1881598697,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.72g/mol |
| Monoisotopic Mass | 213.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number