| CAS Number | 1017782-93-2 |
| Catalog Number | AG00IUYN(AGN-PC-0WB0TG) |
| Chemical Name | Tert-butyl 4-(2-formyl-4-nitrophenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-formyl-4-nitrophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H21N3O5/c1-16(2,3)24-15(21)18-8-6-17(7-9-18)14-5-4-13(19(22)23)10-12(14)11-20/h4-5,10-11H,6-9H2,1-3H3 |
| InChI Key | PYEZKRCRVDWREL-UHFFFAOYSA-N |
| MDL Number | MFCD09972259 |
| Molecular Formula | C16H21N3O5 |
| Molecular Weight | 335.3550 |
| SMILES | O=[N+]([O-])C2(=CC(=C(N1(CCN(C(=O)OC(C)(C)C)CC1))C=C2)C=O) |
| Synonyms | tert-butyl 4-(2-formyl-4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarboxylate,
1017782-93-2,
tert-butyl 4-(2-formyl-4-nitrophenyl)piperazine-1-carboxylate,
SCHEMBL16824872,
CTK7H8726,
PYEZKRCRVDWREL-UHFFFAOYSA-N,
KS-000027ND,
MFCD09972259,
ZINC14007318,
AKOS005073485,
MB-0811,
RP16704,
AJ-64611,
formylnitrophenyltetrahydropyrazinecarboxylate,
TR-065264,
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| Complexity | 477 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.36g/mol |
| Monoisotopic Mass | 335.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number