| CAS Number | 1342882-18-1 |
| Catalog Number | AG01AMOR |
| Chemical Name | 2-ethylcyclohexane-1-carbonitrile |
| IUPAC Name | 2-ethylcyclohexane-1-carbonitrile |
| InChI | InChI=1S/C9H15N/c1-2-8-5-3-4-6-9(8)7-10/h8-9H,2-6H2,1H3 |
| InChI Key | HEIKYFRQSGQYMF-UHFFFAOYSA-N |
| MDL Number | MFCD18901694 |
| Molecular Formula | C9H15N |
| Molecular Weight | 137.2221 |
| SMILES | CCC1C(C#N)CCCC1 |
| Synonyms | 2-ethylcyclohexane-1-carbonitrile,
1342882-18-1,
SCHEMBL2288404,
AKOS013175115,
Z2217052361,
|
| Complexity | 142 |
| 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 | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number