| CAS Number | 643087-38-1 |
| Catalog Number | AG01DTMT(AGN-PC-0TC9RO) |
| Chemical Name | 1-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)acetyl]-, 1,1-dimethylethylester |
| IUPAC Name | tert-butyl 4-[2-(4-nitrophenyl)acetyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C17H23N3O5/c1-17(2,3)25-16(22)19-10-8-18(9-11-19)15(21)12-13-4-6-14(7-5-13)20(23)24/h4-7H,8-12H2,1-3H3 |
| InChI Key | HKAYXRLMYDVZQM-UHFFFAOYSA-N |
| MDL Number | MFCD31803577 |
| Molecular Formula | C17H23N3O5 |
| Molecular Weight | 349.3816 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O |
| Synonyms | 643087-38-1,
SCHEMBL2388312,
1-Piperazinecarboxylic acid, 4-[(4-nitrophenyl)acetyl]-, 1,1-dimethylethylester,
1-Piperazinecarboxylic acid, 4-[2-(4-nitrophenyl)acetyl]-, 1,1-dimethylethyl ester,
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| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.387g/mol |
| Monoisotopic Mass | 349.164g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number