| CAS Number | 1006619-16-4 |
| Catalog Number | AG01DUWK |
| Chemical Name | methyl 5-(aminomethyl)pyridine-3-carboxylate dihydrochloride |
| IUPAC Name | methyl 5-(aminomethyl)pyridine-3-carboxylate;dihydrochloride |
| InChI | InChI=1S/C8H10N2O2.2ClH/c1-12-8(11)7-2-6(3-9)4-10-5-7;;/h2,4-5H,3,9H2,1H3;2*1H |
| InChI Key | XWUJDBZLNZSVMB-UHFFFAOYSA-N |
| MDL Number | MFCD09834351 |
| Molecular Formula | C8H12Cl2N2O2 |
| Molecular Weight | 239.0991 |
| SMILES | Cl.Cl.COC(C1=CC(CN)=CN=C1)=O |
| Synonyms | AKOS015967414,
METHYL-5-AMINOMETHYLNICOTINATE DIHYDROCHLORIDE,
1006619-16-4,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.096g/mol |
| Monoisotopic Mass | 238.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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