| CAS Number | 204067-32-3 |
| Catalog Number | AG00C451(AGN-PC-0395WR) |
| Chemical Name | 1-(Pyridin-2-yl)cyclohexanecarbonitrile |
| IUPAC Name | 1-pyridin-2-ylcyclohexane-1-carbonitrile |
| InChI | InChI=1S/C12H14N2/c13-10-12(7-3-1-4-8-12)11-6-2-5-9-14-11/h2,5-6,9H,1,3-4,7-8H2 |
| InChI Key | JJBRLQGIVCSMJR-UHFFFAOYSA-N |
| MDL Number | MFCD11052314 |
| Molecular Formula | C12H14N2 |
| Molecular Weight | 186.2530 |
| SMILES | N1C=CC=CC=1C1(C#N)CCCCC1 |
| Synonyms | 1-(Pyridin-2-yl)cyclohexanecarbonitrile,
204067-32-3,
1-(pyridin-2-yl)cyclohexane-1-carbonitrile,
SCHEMBL6181910,
CTK7C5708,
JJBRLQGIVCSMJR-UHFFFAOYSA-N,
1-cyano-1-(2-pyridyl)cyclohexane,
1-(2-pyridyl)cyclohexanecarbonitrile,
6903AD,
MFCD11052314,
SBB090481,
ZINC25336354,
AKOS006308657,
1-[Pyridin-2-yl]-cyclohexanecarbonitrile,
1-(2-Pyridinyl)cyclohexane-1-carbonitrile,
TR-055161,
C12H14N2,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.258g/mol |
| Monoisotopic Mass | 186.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number