| CAS Number | 773873-96-4 |
| Catalog Number | AG00ICUG(AGN-PC-0WRA2O) |
| Chemical Name | Methyl 2-(4-methylpiperazino)benzoate |
| IUPAC Name | methyl 2-(4-methylpiperazin-1-yl)benzoate |
| InChI | InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12-6-4-3-5-11(12)13(16)17-2/h3-6H,7-10H2,1-2H3 |
| InChI Key | CCGKFTBYGATDLZ-UHFFFAOYSA-N |
| MDL Number | MFCD06203775 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | COC(=O)c1ccccc1N1CCN(CC1)C |
| Synonyms | Methyl 2-(4-methylpiperazino)benzoate,
773873-96-4,
SCHEMBL5742226,
CCGKFTBYGATDLZ-UHFFFAOYSA-N,
ZINC44199581,
4-methyl-piperazin-1-yl-benzoic acid methyl ester,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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