| CAS Number | 1384430-89-0 |
| Catalog Number | AG019YWG |
| Chemical Name | ethyl 2-[methyl(3-nitropyridin-4-yl)amino]acetate |
| IUPAC Name | ethyl 2-[methyl-(3-nitropyridin-4-yl)amino]acetate |
| InChI | InChI=1S/C10H13N3O4/c1-3-17-10(14)7-12(2)8-4-5-11-6-9(8)13(15)16/h4-6H,3,7H2,1-2H3 |
| InChI Key | PCVJGLXCSCOWGW-UHFFFAOYSA-N |
| MDL Number | MFCD15508987 |
| Molecular Formula | C10H13N3O4 |
| Molecular Weight | 239.2279 |
| SMILES | CCOC(CN(C1=C([N+]([O-])=O)C=NC=C1)C)=O |
| Synonyms | ethyl 2-[methyl(3-nitropyridin-4-yl)amino]acetate,
1384430-89-0,
ZINC50086997,
AKOS011282585,
MCULE-8308762001,
NE28204,
Z1374884337,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.231g/mol |
| Monoisotopic Mass | 239.091g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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