| CAS Number | 20654-44-8 |
| Catalog Number | AG01AFGM(AGN-PC-00L7EK) |
| Chemical Name | 2,3-Dimethylbutanenitrile |
| IUPAC Name | 2,3-dimethylbutanenitrile |
| InChI | InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3 |
| InChI Key | ZMRCOHMOBLASFC-UHFFFAOYSA-N |
| MDL Number | MFCD03424265 |
| Molecular Formula | C6H11N |
| Molecular Weight | 97.1582 |
| SMILES | CC(C(C#N)C)C |
| Synonyms | 2,3-dimethylbutanenitrile,
20654-44-8,
2,3-dimethylbutyronitrile,
AKOS009460148,
MCULE-4065300514,
NE42776,
Z1868316572,
Butanenitrile, 2,3-dimethyl-,
|
| Complexity | 85.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 97.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 97.161g/mol |
| Monoisotopic Mass | 97.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number