| CAS Number | 1133115-74-8 |
| Catalog Number | AG0090G5(AGN-PC-0WA4DN) |
| Chemical Name | 1-BOC-4-(5-nitroquinolin-8-yl)piperazine |
| IUPAC Name | tert-butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C18H22N4O4/c1-18(2,3)26-17(23)21-11-9-20(10-12-21)15-7-6-14(22(24)25)13-5-4-8-19-16(13)15/h4-8H,9-12H2,1-3H3 |
| InChI Key | CGGFQFNDYKSSJB-UHFFFAOYSA-N |
| MDL Number | MFCD11855892 |
| Molecular Formula | C18H22N4O4 |
| Molecular Weight | 358.3917 |
| SMILES | O=C(N1CCN(C2=C3N=CC=CC3=C([N+]([O-])=O)C=C2)CC1)OC(C)(C)C |
| Synonyms | 1133115-74-8,
1-BOC-4-(5-nitroquinolin-8-yl)piperazine,
tert-Butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate,
ACMC-2099ij,
CTK4A8223,
DTXSID80652748,
ANW-16601,
MFCD11855892,
ZINC24061052,
AKOS015836979,
RTR-002556,
AJ-81823,
AX8228936,
ST2407686,
TR-002556,
Z7438,
A-4990,
I08-583,
C18H22N4O4,
tert-Butyl4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate,
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| Complexity | 522 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.398g/mol |
| Monoisotopic Mass | 358.164g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number