| CAS Number | 917748-97-1 |
| Catalog Number | AG01A2IV |
| Chemical Name | 3-Amino-1-(4-methylbenzyl)pyridin-2(1H)-one |
| IUPAC Name | 3-amino-1-[(4-methylphenyl)methyl]pyridin-2-one |
| InChI | InChI=1S/C13H14N2O/c1-10-4-6-11(7-5-10)9-15-8-2-3-12(14)13(15)16/h2-8H,9,14H2,1H3 |
| InChI Key | QZMXBBITTHBLIG-UHFFFAOYSA-N |
| MDL Number | MFCD08898660 |
| Molecular Formula | C13H14N2O |
| Molecular Weight | 214.2631 |
| SMILES | CC1=CC=C(CN2C(=O)C(N)=CC=C2)C=C1 |
| Synonyms | 917748-97-1,
3-amino-1-[(4-methylphenyl)methyl]-1,2-dihydropyridin-2-one,
3-Amino-1-(4-methylbenzyl)pyridin-2(1H)-one,
3-Amino-1-(4-methyl-benzyl)-1H-pyridin-2-one,
ZINC13495688,
AKOS000676670,
MCULE-5250033499,
NE14054,
3-AMINO-1-(4-METHYLBENZYL)-2(1H)-PYRIDINONE,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.268g/mol |
| Monoisotopic Mass | 214.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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