| CAS Number | 114820-10-9 |
| Catalog Number | AG009KGX(AGN-PC-00IRTI) |
| Chemical Name | Benzonitrile, 4-amino-2,6-dimethyl- (9CI) |
| IUPAC Name | 4-amino-2,6-dimethylbenzonitrile |
| InChI | InChI=1S/C9H10N2/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4H,11H2,1-2H3 |
| InChI Key | VCWQGGLMWIFREU-UHFFFAOYSA-N |
| MDL Number | MFCD09965940 |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.1891 |
| SMILES | N#CC1=C(C)C=C(N)C=C1C |
| Synonyms | 4-amino-2,6-dimethylbenzonitrile,
114820-10-9,
SCHEMBL524571,
CTK7C6281,
SBB086498,
ZINC19801495,
AKOS006343090,
4-amino-2,6-dimethylbenzenecarbonitrile,
CID11958955,
Benzonitrile, 4-amino-2,6-dimethyl- (9CI),
AE-562/43286976,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.193g/mol |
| Monoisotopic Mass | 146.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number