| CAS Number | 1228675-25-9 |
| Catalog Number | AG00HH4Y(AGN-PC-0WBPTS) |
| Chemical Name | 4-Benzyl 1-tert-butyl 2-oxopiperazine-1,4-dicarboxylate |
| IUPAC Name | 4-O-benzyl 1-O-tert-butyl 2-oxopiperazine-1,4-dicarboxylate |
| InChI | InChI=1S/C17H22N2O5/c1-17(2,3)24-16(22)19-10-9-18(11-14(19)20)15(21)23-12-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3 |
| InChI Key | ZDJQTZMJNLNEGZ-UHFFFAOYSA-N |
| MDL Number | MFCD28054177 |
| Molecular Formula | C17H22N2O5 |
| Molecular Weight | 334.3670 |
| SMILES | O=C(N1CCN(C(=O)C1)C(=O)OC(C)(C)C)OCc1ccccc1 |
| Synonyms | 1228675-25-9,
4-Benzyl 1-tert-butyl 2-oxopiperazine-1,4-dicarboxylate,
ZDJQTZMJNLNEGZ-UHFFFAOYSA-N,
SCHEMBL17736,
MFCD28054177,
AKOS026676625,
ZINC112954714,
4-benzyl 1-tert-butyl 2-oxo-1,4-piperazinedicarboxylate,
F8889-2017,
2-Oxo-piperazine-1,4-dicarboxylic acid 4-benzyl ester 1-t-butyl ester,
2-OXO-PIPERAZINE-1,4-DICARBOXYLIC ACID 4-BENZYL ESTER 1-TERT-BUTYL ESTER,
4-O-benzyl 1-O-tert-butyl 2-oxopiperazine-1,4-dicarboxylate,
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| Complexity | 480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.372g/mol |
| Monoisotopic Mass | 334.153g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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