| CAS Number | 1185105-86-5 |
| Catalog Number | AG008U12(AGN-PC-0WB6VF) |
| Chemical Name | 4-(piperidin-3-yl)pyrimidine 2HCl |
| IUPAC Name | 4-piperidin-3-ylpyrimidine;dihydrochloride |
| InChI | InChI=1S/C9H13N3.2ClH/c1-2-8(6-10-4-1)9-3-5-11-7-12-9;;/h3,5,7-8,10H,1-2,4,6H2;2*1H |
| InChI Key | YEWKPESOCVCXLE-UHFFFAOYSA-N |
| MDL Number | MFCD12028541 |
| Molecular Formula | C9H15Cl2N3 |
| Molecular Weight | 236.1415 |
| SMILES | Cl.Cl.N1CC(CCC1)C1=NC=NC=C1 |
| Synonyms | 4-(piperidin-3-yl)pyrimidine dihydrochloride,
1185105-86-5,
4-Piperidin-3-yl-pyrimidine dihydrochloride,
4-(3-Piperidinyl)pyrimidine dihydrochloride,
AC1Q3A4A,
CTK5J6615,
4-(piperidin-3-yl)pyrimidine 2HCl,
MFCD12028541,
AKOS015845086,
TR-061696,
4-Piperidin-3-yl-pyrimidine di hydrochloride,
EN300-55218,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.14g/mol |
| Monoisotopic Mass | 235.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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