| CAS Number | 1158346-88-3 |
| Catalog Number | AG0099ZT(AGN-PC-0WB77U) |
| Chemical Name | 4-methyl-2-(3-piperidinyl)-1H-benzimidazole dihydrochloride |
| IUPAC Name | 4-methyl-2-piperidin-3-yl-1H-benzimidazole;dihydrochloride |
| InChI | InChI=1S/C13H17N3.2ClH/c1-9-4-2-6-11-12(9)16-13(15-11)10-5-3-7-14-8-10;;/h2,4,6,10,14H,3,5,7-8H2,1H3,(H,15,16);2*1H |
| InChI Key | JRZBHGOKOQGJHW-UHFFFAOYSA-N |
| MDL Number | MFCD11696392 |
| Molecular Formula | C13H19Cl2N3 |
| Molecular Weight | 288.2161 |
| SMILES | N1C2C(C)=CC=CC=2NC=1C1CCCNC1.Cl.Cl |
| Synonyms | 1158346-88-3,
4-methyl-2-(3-piperidinyl)-1h-benzimidazole dihydrochloride,
4-methyl-2-piperidin-3-yl-1H-benzimidazole dihydrochloride,
ZX-CM005560,
MFCD11696392,
AKOS027426046,
MCULE-5659542434,
4-Methyl-2-(piperidin-3-yl)-1H-benzo[d]imidazole dihydrochloride,
4-Methyl-2-piperidin-3-yl-1H-benzimidazole dihydrochloride, AldrichCPR,
N/A,
|
| Complexity | 243 |
| 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 | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.216g/mol |
| Monoisotopic Mass | 287.096g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number