| CAS Number | 1099929-70-0 |
| Catalog Number | AG003SXR(AGN-PC-05LBGD) |
| Chemical Name | 8-Cyclopropylamino-5-nitroquinoline |
| IUPAC Name | N-cyclopropyl-5-nitroquinolin-8-amine |
| InChI | InChI=1S/C12H11N3O2/c16-15(17)11-6-5-10(14-8-3-4-8)12-9(11)2-1-7-13-12/h1-2,5-8,14H,3-4H2 |
| InChI Key | YVTXHPCFLJEPBL-UHFFFAOYSA-N |
| MDL Number | MFCD11855891 |
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.2346 |
| SMILES | [O-][N+](=O)c1ccc(c2c1cccn2)NC1CC1 |
| Synonyms | 1099929-70-0,
N-Cyclopropyl-5-nitroquinolin-8-amine,
8-CYCLOPROPYLAMINO-5-NITROQUINOLINE,
CTK4A6732,
DTXSID20652747,
ACMC-209955,
ANW-16119,
MFCD11855891,
ZINC24057186,
AKOS005831079,
IMED285864973,
RTR-002107,
AJ-81822,
AX8230505,
TR-002107,
ST24025643,
Z7300,
A-4918,
I05-678,
C12H11N3O2,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.239g/mol |
| Monoisotopic Mass | 229.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number