| CAS Number | 4944-21-2 |
| Catalog Number | AG01EW5W(AGN-PC-3H483P) |
| Chemical Name | 2-(Piperidin-4-yl)ethane-1-sulfonic acid |
| IUPAC Name | 2-piperidin-4-ylethanesulfonic acid |
| InChI | InChI=1S/C7H15NO3S/c9-12(10,11)6-3-7-1-4-8-5-2-7/h7-8H,1-6H2,(H,9,10,11) |
| InChI Key | INJQIICGBFJDKK-UHFFFAOYSA-N |
| MDL Number | MFCD06637465 |
| Molecular Formula | C7H15NO3S |
| Molecular Weight | 193.2639 |
| SMILES | C(S(=O)(=O)O)CC1CCNCC1 |
| Synonyms | 2-(Piperidin-4-yl)ethane-1-sulfonic acid,
4944-21-2,
SCHEMBL2169002,
ZINC15781547,
I02-0586,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.261g/mol |
| Monoisotopic Mass | 193.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number