| CAS Number | 1235440-11-5 |
| Catalog Number | AG01A8I8 |
| Chemical Name | 5-methyl-2-(piperidin-3-yl)-1H-1,3-benzodiazole dihydrochloride |
| IUPAC Name | 6-methyl-2-piperidin-3-yl-1H-benzimidazole;dihydrochloride |
| InChI | InChI=1S/C13H17N3.2ClH/c1-9-4-5-11-12(7-9)16-13(15-11)10-3-2-6-14-8-10;;/h4-5,7,10,14H,2-3,6,8H2,1H3,(H,15,16);2*1H |
| InChI Key | VYOSAGBMCWZCFV-UHFFFAOYSA-N |
| MDL Number | MFCD07781106 |
| Molecular Formula | C13H19Cl2N3 |
| Molecular Weight | 288.2161 |
| SMILES | Cl.Cl.CC1=CC2=C(NC(C3CNCCC3)=N2)C=C1 |
| Synonyms | 5-methyl-2-(piperidin-3-yl)-1H-1,3-benzodiazole dihydrochloride,
1235440-11-5,
AC1Q3A7Y,
MCULE-5017175416,
NE24938,
EN300-61670,
Z234895711,
|
| 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