| CAS Number | 1263481-99-7 |
| Catalog Number | AG01B9Q7 |
| Chemical Name | 1-METHYL-2-(PHENYLMETHYL)PIPERAZINE |
| IUPAC Name | 2-benzyl-1-methylpiperazine;dihydrochloride |
| InChI | InChI=1S/C12H18N2.2ClH/c1-14-8-7-13-10-12(14)9-11-5-3-2-4-6-11;;/h2-6,12-13H,7-10H2,1H3;2*1H |
| InChI Key | XRCPLNRKBQZZED-UHFFFAOYSA-N |
| MDL Number | MFCD19285533 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.2847 |
| SMILES | CN1C(CNCC1)CC1=CC=CC=C1 |
| Synonyms | 1-Methyl-2-(phenylmethyl)piperazine dihydrochloride,
1263481-99-7,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.206g/mol |
| Monoisotopic Mass | 262.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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