| CAS Number | 1332528-51-4 |
| Catalog Number | AG00HST9(AGN-PC-0WNLKE) |
| Chemical Name | 1-(2-methanesulfinylethyl)piperazine dihydrochloride |
| IUPAC Name | 1-(2-methylsulfinylethyl)piperazine;dihydrochloride |
| InChI | InChI=1S/C7H16N2OS.2ClH/c1-11(10)7-6-9-4-2-8-3-5-9;;/h8H,2-7H2,1H3;2*1H |
| InChI Key | QONBTPTZGFNAGL-UHFFFAOYSA-N |
| MDL Number | MFCD18071280 |
| Molecular Formula | C7H18Cl2N2OS |
| Molecular Weight | 249.2016 |
| SMILES | Cl.Cl.CS(CCN1CCNCC1)=O |
| Synonyms | 1332528-51-4,
1-(2-methanesulfinylethyl)piperazine dihydrochloride,
1-[2-(Methylsulfinyl)ethyl]piperazinedihydrochloride,
1-(2-(Methylsulfinyl)ethyl)piperazine dihydrochloride,
1-[2-(methylsulfinyl)ethyl]piperazine dihydrochloride,
MFCD18071280,
AKOS026744712,
EN300-84353,
Z1255523344,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.194g/mol |
| Monoisotopic Mass | 248.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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