| CAS Number | 1354951-88-4 |
| Catalog Number | AG019STT(AGN-PC-0WO5GJ) |
| Chemical Name | 2-(Dimethylamino)quinoline-4-carbonitrile |
| IUPAC Name | 2-(dimethylamino)quinoline-4-carbonitrile |
| InChI | InChI=1S/C12H11N3/c1-15(2)12-7-9(8-13)10-5-3-4-6-11(10)14-12/h3-7H,1-2H3 |
| InChI Key | AUEFOXXFYFOODZ-UHFFFAOYSA-N |
| MDL Number | MFCD19388227 |
| Molecular Formula | C12H11N3 |
| Molecular Weight | 197.2358 |
| SMILES | CN(C1=NC2=C(C=CC=C2)C(C#N)=C1)C |
| Synonyms | 2-(dimethylamino)quinoline-4-carbonitrile,
1354951-88-4,
ZINC68772079,
AKOS013200270,
MCULE-8750874464,
NE43516,
EN300-94904,
Z1272096654,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.241g/mol |
| Monoisotopic Mass | 197.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number