| CAS Number | 1820640-78-5 |
| Catalog Number | AG00I0ME(AGN-PC-0WQZ57) |
| Chemical Name | Methyl 2-(4-ethylpiperazin-1-yl)benzoate |
| IUPAC Name | methyl 2-(4-ethylpiperazin-1-yl)benzoate |
| InChI | InChI=1S/C14H20N2O2/c1-3-15-8-10-16(11-9-15)13-7-5-4-6-12(13)14(17)18-2/h4-7H,3,8-11H2,1-2H3 |
| InChI Key | BPRGPHKGLDKAFH-UHFFFAOYSA-N |
| MDL Number | MFCD18205658 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | CCN1CCN(CC1)c1ccccc1C(=O)OC |
| Synonyms | METHYL 2-(4-ETHYLPIPERAZIN-1-YL)BENZOATE,
1820640-78-5,
ZINC217043993,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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