| CAS Number | 1351654-13-1 |
| Catalog Number | AG01AD6S |
| Chemical Name | 1-[(piperidin-3-yl)methyl]-1H-1,3-benzodiazole dihydrochloride |
| IUPAC Name | 1-(piperidin-3-ylmethyl)benzimidazole;dihydrochloride |
| InChI | InChI=1S/C13H17N3.2ClH/c1-2-6-13-12(5-1)15-10-16(13)9-11-4-3-7-14-8-11;;/h1-2,5-6,10-11,14H,3-4,7-9H2;2*1H |
| InChI Key | FQCHKPDXHOXQBZ-UHFFFAOYSA-N |
| MDL Number | MFCD22587612 |
| Molecular Formula | C13H19Cl2N3 |
| Molecular Weight | 288.2161 |
| SMILES | Cl.Cl.C(N1C2=C(C=CC=C2)N=C1)C1CNCCC1 |
| Synonyms | 1351654-13-1,
1-(piperidin-3-ylmethyl)-1H-1,3-benzodiazole dihydrochloride,
F2145-0415,
AKOS026745489,
NE57892,
VU0494734-1,
1-(piperidin-3-ylmethyl)-1H-benzimidazole dihydrochloride,
1-[(Piperidin-3-yl)methyl]-1H-1,3-benzodiazole dihydrochloride,
1-(piperidin-3-ylmethyl)benzimidazole;dihydrochloride,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.216g/mol |
| Monoisotopic Mass | 287.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number