| CAS Number | 72335-56-9 |
| Catalog Number | AG01ABOF(AGN-PC-02W4MZ) |
| Chemical Name | 1-Ethylcyclohexane-1-carbonitrile |
| IUPAC Name | 1-ethylcyclohexane-1-carbonitrile |
| InChI | InChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h2-7H2,1H3 |
| InChI Key | MEHBOHFZFXGIQL-UHFFFAOYSA-N |
| MDL Number | MFCD21296131 |
| Molecular Formula | C9H15N |
| Molecular Weight | 137.2221 |
| SMILES | CCC1(C#N)CCCCC1 |
| Synonyms | 1-ethylcyclohexane-1-carbonitrile,
72335-56-9,
SCHEMBL878835,
ZINC83775508,
AKOS014714702,
NE59906,
1-ethylcyclohexanecarbonitrile,
|
| Complexity | 145 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number