| CAS Number | 34750-24-8 |
| Catalog Number | AG003Q9Y(AGN-PC-0WAD5W) |
| Chemical Name | Ethyl 4-chloro-2-piperidinopyrimidine-5-carboxylate |
| IUPAC Name | ethyl 4-chloro-2-piperidin-1-ylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C12H16ClN3O2/c1-2-18-11(17)9-8-14-12(15-10(9)13)16-6-4-3-5-7-16/h8H,2-7H2,1H3 |
| InChI Key | BNEXRBHAQPGEGU-UHFFFAOYSA-N |
| MDL Number | MFCD11111793 |
| Molecular Formula | C12H16ClN3O2 |
| Molecular Weight | 269.7273 |
| SMILES | O=C(C1=CN=C(N2CCCCC2)N=C1Cl)OCC |
| Synonyms | 34750-24-8,
ETHYL 4-CHLORO-2-(PIPERIDIN-1-YL)PYRIMIDINE-5-CARBOXYLATE,
Ethyl 4-chloro-2-piperidinopyrimidine-5-carboxylate,
ACMC-209ia3,
CTK4H2977,
DTXSID60674802,
ANW-27961,
MFCD11111793,
ZINC38537246,
AKOS015851150,
IMED1982663397,
ACM34750248,
AJ-96007,
AX8242983,
TR-014369,
I03-829,
ETHYL4-CHLORO-2- PYRIMIDINE-5-CARBOXYLATE,
ETHYL4-CHLORO-2-(PIPERIDIN-1-YL)PYRIMIDINE-5-CARBOXYLATE,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.729g/mol |
| Monoisotopic Mass | 269.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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