| CAS Number | 1241675-83-1 |
| Catalog Number | AG003AVM(AGN-PC-0WBXTM) |
| Chemical Name | 5-Chloro-2-piperidin-4-yl-1h-benzimidazole dihydrochloride |
| IUPAC Name | 6-chloro-2-piperidin-4-yl-1H-benzimidazole;dihydrochloride |
| InChI | InChI=1S/C12H14ClN3.2ClH/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;;/h1-2,7-8,14H,3-6H2,(H,15,16);2*1H |
| InChI Key | WJXXZXXHZJYMIZ-UHFFFAOYSA-N |
| MDL Number | MFCD16628198 |
| Molecular Formula | C12H16Cl3N3 |
| Molecular Weight | 308.6345 |
| SMILES | Cl.Cl.ClC=1C=CC2=C(NC(=N2)C2CCNCC2)C1 |
| Synonyms | 1241675-83-1,
5-chloro-2-piperidin-4-yl-1H-benzimidazole dihydrochloride,
6-chloro-2-piperidin-4-yl-1h-benzimidazole dihydrochloride,
6-Chloro-2-piperidin-4-yl-1H-benzimidazoledihydrochloride,
6-Chloro-2-(piperidin-4-yl)-1H-benzo[d]imidazole dihydrochloride,
CTK6H1689,
MFCD16620367,
AKOS015845698,
TR-050776,
6-Chloro-2-(4-piperidinyl)-1H-benzimidazole dihydrochloride,
6-Chloro-2-piperidin-4-yl-1H-benzimidazole di hydrochloride,
5-chloro-2-(piperidin-4-yl)-3H-1,3-benzodiazole dihydrochloride,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.631g/mol |
| Monoisotopic Mass | 307.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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