| CAS Number | 2092461-37-3 |
| Catalog Number | AG01DW7D |
| Chemical Name | 4-ethyl-7-nitro-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 4-ethyl-7-nitro-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C11H14N2O2/c1-2-8-5-6-12-11-7-9(13(14)15)3-4-10(8)11/h3-4,7-8,12H,2,5-6H2,1H3 |
| InChI Key | QYVLPVAOMULIQK-UHFFFAOYSA-N |
| MDL Number | MFCD31617483 |
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.2411 |
| SMILES | CCC1C2=C(C=C([N+]([O-])=O)C=C2)NCC1 |
| Synonyms | 4-ethyl-7-nitro-1,2,3,4-tetrahydroquinoline,
2092461-37-3,
AKOS034141991,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.245g/mol |
| Monoisotopic Mass | 206.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number