| CAS Number | 517856-21-2 |
| Catalog Number | AG01AASO |
| Chemical Name | 1-[1-(3-Methoxyphenyl)ethyl]piperazine |
| IUPAC Name | 1-[1-(3-methoxyphenyl)ethyl]piperazine |
| InChI | InChI=1S/C13H20N2O/c1-11(15-8-6-14-7-9-15)12-4-3-5-13(10-12)16-2/h3-5,10-11,14H,6-9H2,1-2H3 |
| InChI Key | WQVUGNKAOOHKAL-UHFFFAOYSA-N |
| MDL Number | MFCD05187338 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | COC1=CC(C(N2CCNCC2)C)=CC=C1 |
| Synonyms | 1-[1-(3-methoxyphenyl)ethyl]piperazine,
517856-21-2,
AC1Q47SA,
AC1NP858,
SCHEMBL13850281,
AKOS008143181,
MCULE-3601851420,
NE19752,
EN300-69456,
1-[1-(3-methoxyphenyl)ethyl]piperazine, AldrichCPR,
Z1263811700,
CID5153594,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.316g/mol |
| Monoisotopic Mass | 220.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number