| CAS Number | 2060053-10-1 |
| Catalog Number | AG01C0DF |
| Chemical Name | 8-(piperazin-1-ylmethyl)quinoline trihydrochloride |
| IUPAC Name | 8-(piperazin-1-ylmethyl)quinoline;trihydrochloride |
| InChI | InChI=1S/C14H17N3.3ClH/c1-3-12-5-2-6-16-14(12)13(4-1)11-17-9-7-15-8-10-17;;;/h1-6,15H,7-11H2;3*1H |
| InChI Key | BUJAVHFLNUNUQC-UHFFFAOYSA-N |
| MDL Number | MFCD30497947 |
| Molecular Formula | C14H20Cl3N3 |
| Molecular Weight | 336.6877 |
| SMILES | Cl.Cl.Cl.C(C1=C2C(C=CC=N2)=CC=C1)N1CCNCC1 |
| Synonyms | 8-[(piperazin-1-yl)methyl]quinoline trihydrochloride,
2060053-10-1,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.685g/mol |
| Monoisotopic Mass | 335.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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