| CAS Number | 1046817-01-9 |
| Catalog Number | AG019EVV(AGN-PC-0WG4C0) |
| Chemical Name | 1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl methanesulfonate |
| IUPAC Name | [1-(5-ethylpyrimidin-2-yl)piperidin-4-yl] methanesulfonate |
| InChI | InChI=1S/C12H19N3O3S/c1-3-10-8-13-12(14-9-10)15-6-4-11(5-7-15)18-19(2,16)17/h8-9,11H,3-7H2,1-2H3 |
| InChI Key | CYUJKTDJLYEDBZ-UHFFFAOYSA-N |
| MDL Number | MFCD29084721 |
| Molecular Formula | C12H19N3O3S |
| Molecular Weight | 285.3626 |
| SMILES | CCc1cnc(nc1)N1CCC(CC1)OS(C)(=O)=O |
| Synonyms | 1-(5-ethylpyrimidin-2-yl)piperidin-4-yl methanesulfonate,
1046817-01-9,
SCHEMBL1004837,
CYUJKTDJLYEDBZ-UHFFFAOYSA-N,
MFCD29084721,
ZINC115010463,
CS-0037758,
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| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.362g/mol |
| Monoisotopic Mass | 285.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number