| CAS Number | 1311315-21-5 |
| Catalog Number | AG01AHPB |
| Chemical Name | 3-[4-methyl-6-oxo-2-(pyridin-4-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid hydrochloride |
| IUPAC Name | 3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C13H13N3O3.ClH/c1-8-10(2-3-11(17)18)13(19)16-12(15-8)9-4-6-14-7-5-9;/h4-7H,2-3H2,1H3,(H,17,18)(H,15,16,19);1H |
| InChI Key | BENUJDYJJPJUGI-UHFFFAOYSA-N |
| MDL Number | MFCD18785555 |
| Molecular Formula | C13H14ClN3O3 |
| Molecular Weight | 295.7216 |
| SMILES | Cl.CC1=C(CCC(O)=O)C(=O)NC(C2=CC=NC=C2)=N1 |
| Synonyms | 3-[4-methyl-6-oxo-2-(pyridin-4-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid hydrochloride,
1311315-21-5,
NE19279,
EN300-75390,
|
| Complexity | 448 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.723g/mol |
| Monoisotopic Mass | 295.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number