| CAS Number | 90236-68-3 |
| Catalog Number | AG01C2WG(AGN-PC-0VQ814) |
| Chemical Name | 1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine dihydrochloride |
| IUPAC Name | 1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine;dihydrochloride |
| InChI | InChI=1S/C13H19BrN2O.2ClH/c1-15-6-8-16(9-7-15)10-11-17-13-4-2-12(14)3-5-13;;/h2-5H,6-11H2,1H3;2*1H |
| InChI Key | RFMMHQJJOXNGBQ-UHFFFAOYSA-N |
| MDL Number | MFCD29055160 |
| Molecular Formula | C13H21BrCl2N2O |
| Molecular Weight | 372.1286 |
| SMILES | Cl.Cl.CN1CCN(CCOC2=CC=C(Br)C=C2)CC1 |
| Synonyms | 90236-68-3,
1-[2-(4-bromophenoxy)ethyl]-4-methylpiperazine dihydrochloride,
Z2301499766,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.128g/mol |
| Monoisotopic Mass | 370.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 15.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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