| CAS Number | 1302581-08-3 |
| Catalog Number | AG01A3XH(AGN-PC-0WO3OL) |
| Chemical Name | 5-(Dimethylamino)pyrazine-2-carboxylic acid |
| IUPAC Name | 5-(dimethylamino)pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C7H9N3O2/c1-10(2)6-4-8-5(3-9-6)7(11)12/h3-4H,1-2H3,(H,11,12) |
| InChI Key | QJHKHNOXWWAERJ-UHFFFAOYSA-N |
| MDL Number | MFCD20284516 |
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.1653 |
| SMILES | CN(C)C1=NC=C(N=C1)C(=O)O |
| Synonyms | 5-(dimethylamino)pyrazine-2-carboxylic acid,
1302581-08-3,
SCHEMBL1760211,
ZINC70582397,
AKOS013595130,
MCULE-5233587183,
NE59602,
2-Pyrazinecarboxylicacid,5-(dimethylamino)-,
FT-0736898,
2-Pyrazinecarboxylic acid, 5-(dimethylamino)-,
Z1762997288,
5-(dimethylamino)-2-Pyrazinecarboxylic acid,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.168g/mol |
| Monoisotopic Mass | 167.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number