| CAS Number | 92500-44-2 |
| Catalog Number | AG01A6OR |
| Chemical Name | 2-(3,4-dimethoxyphenyl)-2-ethylbutanenitrile |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-2-ethylbutanenitrile |
| InChI | InChI=1S/C14H19NO2/c1-5-14(6-2,10-15)11-7-8-12(16-3)13(9-11)17-4/h7-9H,5-6H2,1-4H3 |
| InChI Key | OUIZGIDKSQXOMA-UHFFFAOYSA-N |
| MDL Number | MFCD12846537 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | CCC(C1=CC(OC)=C(OC)C=C1)(C#N)CC |
| Synonyms | 2-(3,4-dimethoxyphenyl)-2-ethylbutanenitrile,
92500-44-2,
ZINC37934406,
AKOS005795502,
IMED725227467,
MCULE-3571054342,
NE51770,
EN300-133763,
Z1664973502,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number