| CAS Number | 1285898-99-8 |
| Catalog Number | AG00HRTS(AGN-PC-0WRACX) |
| Chemical Name | 1-(tert-butyl) 3-methyl 4-methylpiperazine-1,3-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 3-O-methyl 4-methylpiperazine-1,3-dicarboxylate |
| InChI | InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-7-6-13(4)9(8-14)10(15)17-5/h9H,6-8H2,1-5H3 |
| InChI Key | CXJROCRSZVELMK-UHFFFAOYSA-N |
| MDL Number | MFCD09029211 |
| Molecular Formula | C12H22N2O4 |
| Molecular Weight | 258.3141 |
| SMILES | COC(=O)C1CN(CCN1C)C(=O)OC(C)(C)C |
| Synonyms | 1-tert-Butyl 3-methyl 4-methylpiperazine-1,3-dicarboxylate,
1285898-99-8,
1-(tert-butyl) 3-methyl 4-methylpiperazine-1,3-dicarboxylate,
SCHEMBL1536817,
AKOS015961097,
CS-0062100,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.318g/mol |
| Monoisotopic Mass | 258.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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