| CAS Number | 1795433-82-7 |
| Catalog Number | AG01AUYY |
| Chemical Name | tert-butyl 2-{[1-(ethanesulfonyl)piperidin-4-yl]amino}acetate |
| IUPAC Name | tert-butyl 2-[(1-ethylsulfonylpiperidin-4-yl)amino]acetate |
| InChI | InChI=1S/C13H26N2O4S/c1-5-20(17,18)15-8-6-11(7-9-15)14-10-12(16)19-13(2,3)4/h11,14H,5-10H2,1-4H3 |
| InChI Key | NDKUZFNQRXBRHA-UHFFFAOYSA-N |
| MDL Number | MFCD28064204 |
| Molecular Formula | C13H26N2O4S |
| Molecular Weight | 306.4215 |
| SMILES | CCS(N1CCC(NCC(OC(C)(C)C)=O)CC1)(=O)=O |
| Synonyms | tert-butyl 2-{[1-(ethanesulfonyl)piperidin-4-yl]amino}acetate,
1795433-82-7,
ZINC98113880,
AKOS034511477,
Z649672162,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.421g/mol |
| Monoisotopic Mass | 306.161g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number