| CAS Number | 1355532-16-9 |
| Catalog Number | AG009YHG(AGN-PC-0WCSI1) |
| Chemical Name | 2-(4-(1-(4-bromophenyl)ethyl)piperazin-1-yl)ethanol |
| IUPAC Name | 2-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]ethanol |
| InChI | InChI=1S/C14H21BrN2O/c1-12(13-2-4-14(15)5-3-13)17-8-6-16(7-9-17)10-11-18/h2-5,12,18H,6-11H2,1H3 |
| InChI Key | KTLMBAWFWFODKO-UHFFFAOYSA-N |
| MDL Number | MFCD28400551 |
| Molecular Formula | C14H21BrN2O |
| Molecular Weight | 313.2333 |
| SMILES | CC(C1=CC=C(Br)C=C1)N1CCN(CCO)CC1 |
| Synonyms | 2-(4-(1-(4-bromophenyl)ethyl)piperazin-1-yl)ethanol,
1355532-16-9,
MFCD28400551,
AKOS027423109,
AM87930,
MCULE-1929768233,
Z1185893804,
2-{4-[1-(4-bromophenyl)ethyl]piperazin-1-yl}ethan-1-ol,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.239g/mol |
| Monoisotopic Mass | 312.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number