| CAS Number | 1133115-87-3 |
| Catalog Number | AG0079F5(AGN-PC-0WCCQQ) |
| Chemical Name | tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C18H22N4O4/c1-18(2,3)26-17(23)21-11-9-20(10-12-21)15-7-6-14-13(5-4-8-19-14)16(15)22(24)25/h4-8H,9-12H2,1-3H3 |
| InChI Key | DOLJWBADJZUQHH-UHFFFAOYSA-N |
| MDL Number | MFCD11855903 |
| Molecular Formula | C18H22N4O4 |
| Molecular Weight | 358.3917 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)c2ccc3c(c2N(=O)=O)cccn3 |
| Synonyms | TERT-BUTYL 4-(5-NITROQUINOLIN-6-YL)PIPERAZINE-1-CARBOXYLATE,
1133115-87-3,
ACMC-2099ip,
CTK4A8229,
DTXSID40672604,
ANW-16607,
MFCD11855903,
ZINC38537322,
AKOS015833495,
MCULE-3162873063,
RTR-002562,
AJ-96067,
AX8229593,
TR-002562,
ST24025938,
Z7444,
A-4996,
AB01006375-01,
I08-525,
Z643596512,
C18H22N4O4,
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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