| CAS Number | 24192-95-8 |
| Catalog Number | AG00BJ1T(AGN-PC-0JWHZK) |
| Chemical Name | 4-Chloro-2-(piperidin-1-yl)pyrimidine |
| IUPAC Name | 4-chloro-2-piperidin-1-ylpyrimidine |
| InChI | InChI=1S/C9H12ClN3/c10-8-4-5-11-9(12-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2 |
| InChI Key | DFNTXDDYVXGSLY-UHFFFAOYSA-N |
| MDL Number | MFCD00234559 |
| Molecular Formula | C9H12ClN3 |
| Molecular Weight | 197.6647 |
| SMILES | ClC1=NC(N2CCCCC2)=NC=C1 |
| Synonyms | 4-chloro-2-(piperidin-1-yl)pyrimidine,
24192-95-8,
4-chloro-2-piperidin-1-ylpyrimidine,
4-chloro-2-piperidin-1-yl-pyrimidine,
2-piperidino-4-chloropyrimidine,
AC1LG8XW,
4-chloro-2-piperidylpyrimidine,
SCHEMBL2088418,
CTK6H3540,
DFNTXDDYVXGSLY-UHFFFAOYSA-N,
ZINC331183,
SBB092219,
AKOS010519288,
AB05255,
NE28610,
EN000329,
Pyrimidine, 4-chloro-2-(1-piperidinyl)-,
AH-034/01381003,
4-chloro-2-(1-piperidyl)pyrimidine,
CID817346,
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| Complexity | 159 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.666g/mol |
| Monoisotopic Mass | 197.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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