| CAS Number | 898044-42-3 |
| Catalog Number | AG00H35J |
| Chemical Name | (3S)-3-benzyl-1-methylpiperazine |
| IUPAC Name | (3S)-3-benzyl-1-methylpiperazine |
| InChI | InChI=1S/C12H18N2/c1-14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m0/s1 |
| InChI Key | NJHPPXZJEYFKMD-LBPRGKRZSA-N |
| MDL Number | MFCD20668831 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.2847 |
| SMILES | CN1CCN[C@@H](Cc2ccccc2)C1 |
| Synonyms | (S)-3-Benzyl-1-methyl-piperazine,
898044-42-3,
(S)-3-Benzyl-1-methylpiperazine,
(3s)-3-benzyl-1-methylpiperazine,
SCHEMBL1368801,
8691AH,
MFCD20668831,
ZINC95192348,
NE64464,
C12H18N2,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.29g/mol |
| Monoisotopic Mass | 190.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number