| CAS Number | 1199776-84-5 |
| Catalog Number | AG01AN0J |
| Chemical Name | 6-[(methylamino)methyl]pyridine-3-carboxylic acid |
| IUPAC Name | 6-(methylaminomethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c1-9-5-7-3-2-6(4-10-7)8(11)12/h2-4,9H,5H2,1H3,(H,11,12) |
| InChI Key | FTOSEBCYINZLJU-UHFFFAOYSA-N |
| MDL Number | MFCD13249757 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | O=C(C1=CN=C(CNC)C=C1)O |
| Synonyms | 6-[(methylamino)methyl]pyridine-3-carboxylic acid,
1199776-84-5,
ZINC83119960,
AKOS017516352,
Z2255112965,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.5 |
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Certificate of Analysis
Lot Number