| CAS Number | 939756-87-3 |
| Catalog Number | AG019ZRH(AGN-PC-0WO2LI) |
| Chemical Name | 2-(4-methanesulfonylpiperazin-1-yl)acetic acid |
| IUPAC Name | 2-(4-methylsulfonylpiperazin-1-yl)acetic acid |
| InChI | InChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-8(3-5-9)6-7(10)11/h2-6H2,1H3,(H,10,11) |
| InChI Key | ASTVJVUMCHLFHE-UHFFFAOYSA-N |
| MDL Number | MFCD09026170 |
| Molecular Formula | C7H14N2O4S |
| Molecular Weight | 222.2621 |
| SMILES | CS(N1CCN(CC(O)=O)CC1)(=O)=O |
| Synonyms | 2-(4-methanesulfonylpiperazin-1-yl)acetic acid,
939756-87-3,
SCHEMBL3668924,
ASTVJVUMCHLFHE-UHFFFAOYSA-N,
ZINC8699056,
AKOS009076151,
MCULE-8714211119,
NE17416,
RP27392,
(4-methanesulfonyl-piperazin-1-yl)-acetic acid,
Z149424414,
1-Piperazineacetic acid, 4-(methylsulfonyl),
(4-Methanesulfonyl-piperazin-1-yl)-acetic acid 1HCl salt,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.259g/mol |
| Monoisotopic Mass | 222.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number