| CAS Number | 211915-53-6 |
| Catalog Number | AG00BIHB(AGN-PC-0WOHDS) |
| Chemical Name | Methyl 5-amino-6-(methylamino)pyridine-3-carboxylate |
| IUPAC Name | methyl 5-amino-6-(methylamino)pyridine-3-carboxylate |
| InChI | InChI=1S/C8H11N3O2/c1-10-7-6(9)3-5(4-11-7)8(12)13-2/h3-4H,9H2,1-2H3,(H,10,11) |
| InChI Key | XPCXDDOGPNBUQL-UHFFFAOYSA-N |
| MDL Number | MFCD20685105 |
| Molecular Formula | C8H11N3O2 |
| Molecular Weight | 181.1918 |
| SMILES | NC=1C=C(C=NC1NC)C(=O)OC |
| Synonyms | 211915-53-6,
methyl 5-amino-6-(methylamino)pyridine-3-carboxylate,
Methyl 5-amino-6-(methylamino)nicotinate,
SCHEMBL6775923,
XPCXDDOGPNBUQL-UHFFFAOYSA-N,
MFCD20685105,
ZINC95495994,
AKOS026673611,
methyl 5-amino-6-methylaminonicotinate,
Methyl 5-amino-6-methylamino-nicotinate,
AS-43560,
CS-0081626,
V4322,
K-6102,
C8H11N3O2,
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| 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 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number