| CAS Number | 159873-21-9 |
| Catalog Number | AG01F2PS(AGN-PC-0WCWCL) |
| Chemical Name | 1,1-Dimethylethyl 4-(2-cyanoacetyl)-1-piperazinecarboxylate |
| IUPAC Name | tert-butyl 4-(2-cyanoacetyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-8-6-14(7-9-15)10(16)4-5-13/h4,6-9H2,1-3H3 |
| InChI Key | KRLYUZSRQQHVMQ-UHFFFAOYSA-N |
| MDL Number | MFCD20731084 |
| Molecular Formula | C12H19N3O3 |
| Molecular Weight | 253.2976 |
| SMILES | N#CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 |
| Synonyms | 159873-21-9,
t-Butyl 4-(cyanoacetyl)-1-piperazinecarboxylate,
tert-Butyl 4-(cyanoacetyl)piperazine-1-carboxylate,
tert-butyl 4-(2-cyanoacetyl)piperazine-1-carboxylate,
SCHEMBL3985708,
DTXSID70596743,
KRLYUZSRQQHVMQ-UHFFFAOYSA-N,
MFCD20731084,
ZINC79387249,
AS-9443,
t-Butyl 4-(cyanoacetyl)piperazine-1-carboxylate,
tert-butyl 4-(cyanoacetyl)-1-piperazinecarboxylate,
tert-Butyl 4-(2-cyanoacetyl)-1-piperazinecarboxylate,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.302g/mol |
| Monoisotopic Mass | 253.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number