| CAS Number | 1803604-06-9 |
| Catalog Number | AG01BABK |
| Chemical Name | N-[2-(1H-imidazol-1-yl)ethyl]-1-methylpiperidin-4-amine trihydrochloride |
| IUPAC Name | N-(2-imidazol-1-ylethyl)-1-methylpiperidin-4-amine;trihydrochloride |
| InChI | InChI=1S/C11H20N4.3ClH/c1-14-6-2-11(3-7-14)13-5-9-15-8-4-12-10-15;;;/h4,8,10-11,13H,2-3,5-7,9H2,1H3;3*1H |
| InChI Key | MNDIMFAQNJOULZ-UHFFFAOYSA-N |
| MDL Number | MFCD28397591 |
| Molecular Formula | C11H23Cl3N4 |
| Molecular Weight | 317.6861 |
| SMILES | Cl.Cl.Cl.CN1CCC(NCCN2C=NC=C2)CC1 |
| Synonyms | N-[2-(1H-imidazol-1-yl)ethyl]-1-methylpiperidin-4-amine trihydrochloride,
1803604-06-9,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.683g/mol |
| Monoisotopic Mass | 316.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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