| CAS Number | 1909313-40-1 |
| Catalog Number | AG01C3K3 |
| Chemical Name | 1-benzyl-2,3,6-trimethylpiperazine |
| IUPAC Name | 1-benzyl-2,3,6-trimethylpiperazine |
| InChI | InChI=1S/C14H22N2/c1-11-9-15-12(2)13(3)16(11)10-14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3 |
| InChI Key | YWCNGENQNHPONV-UHFFFAOYSA-N |
| MDL Number | MFCD29762814 |
| Molecular Formula | C14H22N2 |
| Molecular Weight | 218.3379 |
| SMILES | CC1N(CC2=CC=CC=C2)C(C)C(C)NC1 |
| Synonyms | 1-benzyl-2,3,6-trimethylpiperazine,
1909313-40-1,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.344g/mol |
| Monoisotopic Mass | 218.178g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number