| CAS Number | 1133115-76-0 |
| Catalog Number | AG00820R(AGN-PC-0WD0NA) |
| Chemical Name | 1-(5-Nitroquinolin-8-Yl)Piperidin-4-Ol |
| IUPAC Name | 1-(5-nitroquinolin-8-yl)piperidin-4-ol |
| InChI | InChI=1S/C14H15N3O3/c18-10-5-8-16(9-6-10)13-4-3-12(17(19)20)11-2-1-7-15-14(11)13/h1-4,7,10,18H,5-6,8-9H2 |
| InChI Key | ROLSKNAOHRRYNI-UHFFFAOYSA-N |
| MDL Number | MFCD11855893 |
| Molecular Formula | C14H15N3O3 |
| Molecular Weight | 273.2872 |
| SMILES | [O-][N+](C1C=CC(=C2C=1C=CC=N2)N1CCC(CC1)O)=O |
| Synonyms | 1-(5-Nitroquinolin-8-yl)piperidin-4-ol,
1133115-76-0,
ACMC-2099ik,
CTK4A8224,
DTXSID80674884,
ANW-16602,
MFCD11855893,
ZINC38537332,
AKOS008460734,
RTR-002557,
AJ-96077,
CJ-19440,
AX8229589,
ST2403232,
TR-002557,
Z7439,
A-4991,
I08-518,
C14H15N3O3,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.292g/mol |
| Monoisotopic Mass | 273.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.2A^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