| CAS Number | 1375065-78-3 |
| Catalog Number | AG019D5M(AGN-PC-0WBSH2) |
| Chemical Name | Isopropyl 4-(1-cyanoethyl)piperidine-1-carboxylate |
| IUPAC Name | propan-2-yl 4-(1-cyanoethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C12H20N2O2/c1-9(2)16-12(15)14-6-4-11(5-7-14)10(3)8-13/h9-11H,4-7H2,1-3H3 |
| InChI Key | FZISNKBZUBQJMD-UHFFFAOYSA-N |
| MDL Number | MFCD22495452 |
| Molecular Formula | C12H20N2O2 |
| Molecular Weight | 224.2994 |
| SMILES | C(C)(C)OC(=O)N1CCC(CC1)C(C)C#N |
| Synonyms | Isopropyl 4-(1-cyanoethyl)piperidine-1-carboxylate,
1375065-78-3,
MFCD22495452,
AKOS027470332,
CS-0059738,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.304g/mol |
| Monoisotopic Mass | 224.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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