| CAS Number | 1018305-83-3 |
| Catalog Number | AG00990P(AGN-PC-0WBQ21) |
| Chemical Name | 2-(4-(Methylsulfonyl)piperazin-1-yl)ethanamine |
| IUPAC Name | 2-(4-methylsulfonylpiperazin-1-yl)ethanamine |
| InChI | InChI=1S/C7H17N3O2S/c1-13(11,12)10-6-4-9(3-2-8)5-7-10/h2-8H2,1H3 |
| InChI Key | DYVOXHLRPHXAEY-UHFFFAOYSA-N |
| MDL Number | MFCD10015996 |
| Molecular Formula | C7H17N3O2S |
| Molecular Weight | 207.2938 |
| SMILES | O=S(N1CCN(CCN)CC1)(C)=O |
| Synonyms | 1018305-83-3,
2-(4-methanesulfonylpiperazin-1-yl)ethan-1-amine,
2-(4-(Methylsulfonyl)piperazin-1-yl)ethanamine,
AC1Q4GOR,
SCHEMBL10064483,
CTK7E8694,
DTXSID30655789,
ZINC23477052,
AKOS005208418,
MCULE-9705771128,
4-(Methylsulfonyl)-1-piperazineethanamine,
2-(4-methanesulfonylpiperazin-1-yl)ethanamine,
EN300-53425,
L-2395,
{2-[4-(Methylsulfonyl)piperazin-1-yl]ethyl}amine,
2-(4-(Methylsulfonyl)piperazin-1- yl)ethanamine,
2-[4-(Methanesulfonyl)piperazin-1-yl]ethan-1-amine,
F2158-0190,
Z803145616,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.292g/mol |
| Monoisotopic Mass | 207.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
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Certificate of Analysis
Lot Number