| CAS Number | 1017-42-1 |
| Catalog Number | AG019V1R(AGN-PC-0WO7KR) |
| Chemical Name | 1-[(4-aminophenyl)methyl]-1,2-dihydropyridin-2-one |
| IUPAC Name | 1-[(4-aminophenyl)methyl]pyridin-2-one |
| InChI | InChI=1S/C12H12N2O/c13-11-6-4-10(5-7-11)9-14-8-2-1-3-12(14)15/h1-8H,9,13H2 |
| InChI Key | QBPISWMTLKTKMK-UHFFFAOYSA-N |
| MDL Number | MFCD09048642 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | C1=CC(=O)N(C=C1)CC2=CC=C(C=C2)N |
| Synonyms | 1-[(4-aminophenyl)methyl]-1,2-dihydropyridin-2-one,
1017-42-1,
SCHEMBL16881558,
ZINC22143928,
AKOS000132057,
MCULE-9918451944,
NE56812,
EN300-43483,
1-[(4-Aminophenyl)methyl]-1,2-dihydropyridin-2-one, AldrichCPR,
AC1Q520N,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.094963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.24g/mol |
| Monoisotopic Mass | 200.094963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number