| CAS Number | 1258640-72-0 |
| Catalog Number | AG01AATQ(AGN-PC-0WORTU) |
| Chemical Name | N-(prop-2-yn-1-yl)piperazine-1-sulfonamide hydrochloride |
| IUPAC Name | N-prop-2-ynylpiperazine-1-sulfonamide;hydrochloride |
| InChI | InChI=1S/C7H13N3O2S.ClH/c1-2-3-9-13(11,12)10-6-4-8-5-7-10;/h1,8-9H,3-7H2;1H |
| InChI Key | UNOXUUADYQCKLY-UHFFFAOYSA-N |
| MDL Number | MFCD17480429 |
| Molecular Formula | C7H14ClN3O2S |
| Molecular Weight | 239.7230 |
| SMILES | Cl.O=S(N1CCNCC1)(NCC#C)=O |
| Synonyms | N-(prop-2-yn-1-yl)piperazine-1-sulfonamide hydrochloride,
1258640-72-0,
EN300-69539,
AC1Q3EU6,
AKOS026742009,
MCULE-6774106694,
Z1695797910,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.718g/mol |
| Monoisotopic Mass | 239.05g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number