| CAS Number | 1311314-12-1 |
| Catalog Number | AG01AIO9(AGN-PC-0WO5G0) |
| Chemical Name | 2-(Methylamino)quinoline-4-carbonitrile |
| IUPAC Name | 2-(methylamino)quinoline-4-carbonitrile |
| InChI | InChI=1S/C11H9N3/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)14-11/h2-6H,1H3,(H,13,14) |
| InChI Key | CBKYBPQWMMTFMT-UHFFFAOYSA-N |
| MDL Number | MFCD18917350 |
| Molecular Formula | C11H9N3 |
| Molecular Weight | 183.2093 |
| SMILES | CNC1=NC2=C(C=CC=C2)C(C#N)=C1 |
| Synonyms | 2-(methylamino)quinoline-4-carbonitrile,
1311314-12-1,
ZINC68592499,
AKOS013197703,
MCULE-2279813478,
NE21239,
EN300-78539,
Z1268152363,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.214g/mol |
| Monoisotopic Mass | 183.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number