| CAS Number | 946702-02-9 |
| Catalog Number | AG00J0VG(AGN-PC-0WB5PS) |
| Chemical Name | ethyl 1-(cyanomethyl)piperidine-3-carboxylate |
| IUPAC Name | ethyl 1-(cyanomethyl)piperidine-3-carboxylate |
| InChI | InChI=1S/C10H16N2O2/c1-2-14-10(13)9-4-3-6-12(8-9)7-5-11/h9H,2-4,6-8H2,1H3 |
| InChI Key | JWAIADWIXLFQJB-UHFFFAOYSA-N |
| MDL Number | MFCD09947881 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | C1(CCCN(CC#N)C1)C(OCC)=O |
| Synonyms | ethyl 1-(cyanomethyl)piperidine-3-carboxylate,
946702-02-9,
CTK6F6810,
ALBB-005256,
4051AF,
MFCD09947881,
STK499937,
AKOS000192720,
AKOS016345404,
RTR-058718,
AB0229674,
TR-058718,
Y-6041,
C10H16N2O2,
|
| Complexity | 244 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number