| CAS Number | 83039-02-5 |
| Catalog Number | AG01A6OU(AGN-PC-0WO1NH) |
| Chemical Name | 4-(dimethylamino)pyridine-3-carboxylic acid |
| IUPAC Name | 4-(dimethylamino)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c1-10(2)7-3-4-9-5-6(7)8(11)12/h3-5H,1-2H3,(H,11,12) |
| InChI Key | SGDPQPBBDRJLJY-UHFFFAOYSA-N |
| MDL Number | MFCD20654938 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CN(C)C1=C(C=NC=C1)C(=O)O |
| Synonyms | 4-(Dimethylamino)nicotinic acid,
83039-02-5,
4-(dimethylamino)pyridine-3-carboxylic acid,
SCHEMBL5014069,
ZINC83269910,
AKOS017532459,
KS-8552,
MCULE-7154580964,
NE31162,
3-Pyridinecarboxylic acid, 4-(dimethylamino)-,
Z1762997277,
|
| Complexity | 170 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number