| CAS Number | 954228-35-4 |
| Catalog Number | AG00IJ29(AGN-PC-0WAE11) |
| Chemical Name | Methyl 6-(ethylamino)-5-nitronicotinate |
| IUPAC Name | methyl 6-(ethylamino)-5-nitropyridine-3-carboxylate |
| InChI | InChI=1S/C9H11N3O4/c1-3-10-8-7(12(14)15)4-6(5-11-8)9(13)16-2/h4-5H,3H2,1-2H3,(H,10,11) |
| InChI Key | UVWSVWWTGXMSAI-UHFFFAOYSA-N |
| MDL Number | MFCD09862690 |
| Molecular Formula | C9H11N3O4 |
| Molecular Weight | 225.2013 |
| SMILES | O=C(OC)C1=CN=C(NCC)C([N+]([O-])=O)=C1 |
| Synonyms | Methyl 6-(ethylamino)-5-nitronicotinate,
954228-35-4,
6-Ethylamino-5-nitro-nicotinic acid methyl ester,
KM3341,
ZINC39956535,
AKOS027446300,
V9610,
C9H11N3O4,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.204g/mol |
| Monoisotopic Mass | 225.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number