| CAS Number | 1311315-47-5 |
| Catalog Number | AG01AHFR(AGN-PC-0WBPZM) |
| Chemical Name | 2-(Dimethylamino)pyridine-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H10N2O2.ClH/c1-10(2)7-5-6(8(11)12)3-4-9-7;/h3-5H,1-2H3,(H,11,12);1H |
| InChI Key | XJHZBFRSLCFOJF-UHFFFAOYSA-N |
| MDL Number | MFCD18483325 |
| Molecular Formula | C8H11ClN2O2 |
| Molecular Weight | 202.6381 |
| SMILES | Cl.CN(C1=NC=CC(=C1)C(=O)O)C |
| Synonyms | 2-(dimethylamino)pyridine-4-carboxylic acid hydrochloride,
1311315-47-5,
SCHEMBL15973575,
XJHZBFRSLCFOJF-UHFFFAOYSA-N,
AKOS026676749,
NE46818,
EN300-74556,
2-(dimethylamino)isonicotinic acid hydrochloride,
F8881-6662,
77314-81-9,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.638g/mol |
| Monoisotopic Mass | 202.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number