| CAS Number | 1803610-90-3 |
| Catalog Number | AG01B844 |
| Chemical Name | 6-[(dimethylamino)methyl]pyridine-3-carboxylic acid dihydrochloride |
| IUPAC Name | 6-[(dimethylamino)methyl]pyridine-3-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C9H12N2O2.2ClH/c1-11(2)6-8-4-3-7(5-10-8)9(12)13;;/h3-5H,6H2,1-2H3,(H,12,13);2*1H |
| InChI Key | KSLCLKHECFEZAQ-UHFFFAOYSA-N |
| MDL Number | MFCD28246387 |
| Molecular Formula | C9H14Cl2N2O2 |
| Molecular Weight | 253.1257 |
| SMILES | Cl.Cl.CN(CC1=NC=C(C(O)=O)C=C1)C |
| Synonyms | 6-[(dimethylamino)methyl]pyridine-3-carboxylic acid dihydrochloride,
1803610-90-3,
Z2004547738,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.123g/mol |
| Monoisotopic Mass | 252.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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