| CAS Number | 1803589-61-8 |
| Catalog Number | AG01B8LB |
| Chemical Name | 4-methanesulfonylazepane hydrochloride |
| IUPAC Name | 4-methylsulfonylazepane;hydrochloride |
| InChI | InChI=1S/C7H15NO2S.ClH/c1-11(9,10)7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H |
| InChI Key | VKMZNHXKWIVDJQ-UHFFFAOYSA-N |
| MDL Number | MFCD28246553 |
| Molecular Formula | C7H16ClNO2S |
| Molecular Weight | 213.7254 |
| SMILES | Cl.CS(C1CCNCCC1)(=O)=O |
| Synonyms | 4-methanesulfonylazepane hydrochloride,
1803589-61-8,
AKOS033723808,
Z1998612661,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.059028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.73g/mol |
| Monoisotopic Mass | 213.059028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number