| CAS Number | 25186-25-8 |
| Catalog Number | AG019RRO(AGN-PC-0FQM8H) |
| Chemical Name | 4,4-Dimethylcyclohexane-1-carbonitrile |
| IUPAC Name | 4,4-dimethylcyclohexane-1-carbonitrile |
| InChI | InChI=1S/C9H15N/c1-9(2)5-3-8(7-10)4-6-9/h8H,3-6H2,1-2H3 |
| InChI Key | UBFPZDQIUHSLBE-UHFFFAOYSA-N |
| MDL Number | MFCD20319755 |
| Molecular Formula | C9H15N |
| Molecular Weight | 137.2221 |
| SMILES | N#CC1CCC(C)(C)CC1 |
| Synonyms | 4,4-dimethylcyclohexane-1-carbonitrile,
25186-25-8,
SCHEMBL12551024,
UBFPZDQIUHSLBE-UHFFFAOYSA-N,
4,4-dimethylcyclohexanecarbonitrile,
MFCD20319755,
ZINC70654514,
AKOS013723336,
Z2108806826,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.226g/mol |
| Monoisotopic Mass | 137.12g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number