| CAS Number | 1355226-56-0 |
| Catalog Number | AG00AASN |
| Chemical Name | 6-(Methyl(phenyl)amino)nicotinaldehyde |
| IUPAC Name | 6-(N-methylanilino)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C13H12N2O/c1-15(12-5-3-2-4-6-12)13-8-7-11(10-16)9-14-13/h2-10H,1H3 |
| InChI Key | GXGPITHNEPYNKO-UHFFFAOYSA-N |
| MDL Number | MFCD21089710 |
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.2472 |
| SMILES | CN(C1=NC=C(C=O)C=C1)C1=CC=CC=C1 |
| Synonyms | 6-(methyl(phenyl)amino)nicotinaldehyde,
1355226-56-0,
6-[methyl(phenyl)amino]pyridine-3-carbaldehyde,
ZINC72225316,
AKOS018444331,
Z1947326381,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.252g/mol |
| Monoisotopic Mass | 212.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number