| CAS Number | 944903-10-0 |
| Catalog Number | AG01C6IJ |
| Chemical Name | 5-Chloro-2-(piperidin-4-YL)pyrimidine |
| IUPAC Name | 5-chloro-2-piperidin-4-ylpyrimidine |
| InChI | InChI=1S/C9H12ClN3/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7/h5-7,11H,1-4H2 |
| InChI Key | MZFILKOHQHVLSO-UHFFFAOYSA-N |
| MDL Number | MFCD10697164 |
| Molecular Formula | C9H12ClN3 |
| Molecular Weight | 197.6647 |
| SMILES | ClC=1C=NC(=NC1)C1CCNCC1 |
| Synonyms | 5-CHLORO-2-(PIPERIDIN-4-YL)PYRIMIDINE,
944903-10-0,
5-chloro-2-piperidin-4-ylpyrimidine,
SCHEMBL14734253,
MZFILKOHQHVLSO-UHFFFAOYSA-N,
ZINC95642190,
AKOS006302267,
AB59154,
Pyrimidine, 5-chloro-2-(4-piperidinyl)-,
FT-0762508,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.666g/mol |
| Monoisotopic Mass | 197.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number