| CAS Number | 99601-37-3 |
| Catalog Number | AG005SA5(AGN-PC-06V36Y) |
| Chemical Name | 6-Ethylamino-5-nitroquinoline |
| IUPAC Name | N-ethyl-5-nitroquinolin-6-amine |
| InChI | InChI=1S/C11H11N3O2/c1-2-12-10-6-5-9-8(4-3-7-13-9)11(10)14(15)16/h3-7,12H,2H2,1H3 |
| InChI Key | LEXGYCIINZOOEH-UHFFFAOYSA-N |
| MDL Number | MFCD11855902 |
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.2239 |
| SMILES | O=[N+](C1=C2C=CC=NC2=CC=C1NCC)[O-] |
| Synonyms | N-Ethyl-5-nitroquinolin-6-amine,
99601-37-3,
6-ETHYLAMINO-5-NITROQUINOLINE,
ACMC-209sdd,
CTK5I0550,
DTXSID30656357,
ANW-41039,
MFCD11855902,
ZINC37362203,
AKOS009824421,
AJ-93807,
CJ-19030,
AX8230610,
BC4212222,
ST2407451,
TR-030461,
V9934,
B-1305,
I05-673,
C11H11N3O2,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.228g/mol |
| Monoisotopic Mass | 217.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number