| CAS Number | 1365836-50-5 |
| Catalog Number | AG01A0SD |
| Chemical Name | 1-(4-methoxybenzenesulfonyl)-1,4-diazepane hydrochloride |
| IUPAC Name | 1-(4-methoxyphenyl)sulfonyl-1,4-diazepane;hydrochloride |
| InChI | InChI=1S/C12H18N2O3S.ClH/c1-17-11-3-5-12(6-4-11)18(15,16)14-9-2-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H |
| InChI Key | KWXVQPQAKKNKFF-UHFFFAOYSA-N |
| MDL Number | MFCD22378776 |
| Molecular Formula | C12H19ClN2O3S |
| Molecular Weight | 306.8089 |
| SMILES | Cl.COC1=CC=C(S(N2CCNCCC2)(=O)=O)C=C1 |
| Synonyms | 1-(4-methoxybenzenesulfonyl)-1,4-diazepane hydrochloride,
1365836-50-5,
AKOS025463386,
MCULE-7999857552,
NE21365,
Z1443588461,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.805g/mol |
| Monoisotopic Mass | 306.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number