| CAS Number | 4700-94-1 |
| Catalog Number | AG01A1QG(AGN-PC-0WO15L) |
| Chemical Name | methyl 1-(2-cyanoethyl)piperidine-4-carboxylate |
| IUPAC Name | methyl 1-(2-cyanoethyl)piperidine-4-carboxylate |
| InChI | InChI=1S/C10H16N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-4,6-8H2,1H3 |
| InChI Key | OFAZMLKXFXBXJC-UHFFFAOYSA-N |
| MDL Number | MFCD09947042 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | COC(C1CCN(CCC#N)CC1)=O |
| Synonyms | methyl 1-(2-cyanoethyl)piperidine-4-carboxylate,
4700-94-1,
ZINC19510627,
AKOS000194077,
BBV-084381,
MCULE-8420045021,
NE32730,
EN300-114618,
Z53111583,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number