| CAS Number | 1375471-99-0 |
| Catalog Number | AG019TSG |
| Chemical Name | 1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid dihydrochloride |
| IUPAC Name | 1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C11H17N3O2.2ClH/c1-13-7-4-12-10(13)8-14-5-2-9(3-6-14)11(15)16;;/h4,7,9H,2-3,5-6,8H2,1H3,(H,15,16);2*1H |
| InChI Key | ZDQPTFVRVFVUEC-UHFFFAOYSA-N |
| MDL Number | MFCD21602752 |
| Molecular Formula | C11H19Cl2N3O2 |
| Molecular Weight | 296.1935 |
| SMILES | Cl.Cl.CN1C(CN2CCC(C(O)=O)CC2)=NC=C1 |
| Synonyms | 1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid dihydrochloride,
1375471-99-0,
NE31027,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.192g/mol |
| Monoisotopic Mass | 295.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number