| CAS Number | 1465010-81-4 |
| Catalog Number | AG01BAL7 |
| Chemical Name | methyl 3-amino-2-(methylamino)pyridine-4-carboxylate |
| IUPAC Name | methyl 3-amino-2-(methylamino)pyridine-4-carboxylate |
| InChI | InChI=1S/C8H11N3O2/c1-10-7-6(9)5(3-4-11-7)8(12)13-2/h3-4H,9H2,1-2H3,(H,10,11) |
| InChI Key | GOKSCGFTNJSXFK-UHFFFAOYSA-N |
| MDL Number | MFCD21288016 |
| Molecular Formula | C8H11N3O2 |
| Molecular Weight | 181.1918 |
| SMILES | CNC1=C(N)C(C(OC)=O)=CC=N1 |
| Synonyms | methyl 3-amino-2-(methylamino)pyridine-4-carboxylate,
1465010-81-4,
ZINC84095313,
AKOS015037100,
Z2065788175,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.195g/mol |
| Monoisotopic Mass | 181.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number