| CAS Number | 22247-63-8 |
| Catalog Number | AG01A5FM(AGN-PC-0WO1P9) |
| Chemical Name | 2,2-Dimethylpentanedinitrile |
| IUPAC Name | 2,2-dimethylpentanedinitrile |
| InChI | InChI=1S/C7H10N2/c1-7(2,6-9)4-3-5-8/h3-4H2,1-2H3 |
| InChI Key | YTAGXUZOUXMDHY-UHFFFAOYSA-N |
| MDL Number | MFCD21185315 |
| Molecular Formula | C7H10N2 |
| Molecular Weight | 122.1677 |
| SMILES | N#CC(C)(C)CCC#N |
| Synonyms | 2,2-dimethylpentanedinitrile,
22247-63-8,
SCHEMBL2154123,
ZINC83638967,
AKOS014588021,
NE52124,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.171g/mol |
| Monoisotopic Mass | 122.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number