| CAS Number | 1803600-54-5 |
| Catalog Number | AG01AFP8(AGN-PC-0WO23Y) |
| Chemical Name | benzyl 3,5-dimethylpiperazine-1-carboxylate hydrochloride |
| IUPAC Name | benzyl 3,5-dimethylpiperazine-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C14H20N2O2.ClH/c1-11-8-16(9-12(2)15-11)14(17)18-10-13-6-4-3-5-7-13;/h3-7,11-12,15H,8-10H2,1-2H3;1H |
| InChI Key | XNSJNYIJYTYLMM-UHFFFAOYSA-N |
| MDL Number | MFCD27920212 |
| Molecular Formula | C14H21ClN2O2 |
| Molecular Weight | 284.7817 |
| SMILES | Cl.CC1NC(C)CN(C(OCC2=CC=CC=C2)=O)C1 |
| Synonyms | benzyl 3,5-dimethylpiperazine-1-carboxylate hydrochloride,
1803600-54-5,
AKOS026726770,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.784g/mol |
| Monoisotopic Mass | 284.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number