| CAS Number | 117032-81-2 |
| Catalog Number | AG01ELUV(AGN-PC-0P9WCQ) |
| Chemical Name | Tert-butyl 4-(chloromethyl)-4-cyanopiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(chloromethyl)-4-cyanopiperidine-1-carboxylate |
| InChI | InChI=1S/C12H19ClN2O2/c1-11(2,3)17-10(16)15-6-4-12(8-13,9-14)5-7-15/h4-8H2,1-3H3 |
| InChI Key | ZWSWUDWUDLAILP-UHFFFAOYSA-N |
| MDL Number | MFCD24466630 |
| Molecular Formula | C12H19ClN2O2 |
| Molecular Weight | 258.7445 |
| SMILES | CC(OC(N1CCC(C#N)(CCl)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-(chloromethyl)-4-cyanopiperidine-1-carboxylate,
117032-81-2,
SCHEMBL10529377,
ZWSWUDWUDLAILP-UHFFFAOYSA-N,
AJ-87633,
tert-Butyl-4-chloromethyl-4-cyanopiperidine-1-carboxylate,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.746g/mol |
| Monoisotopic Mass | 258.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number