| CAS Number | 913952-85-9 |
| Catalog Number | AG01AN48 |
| Chemical Name | tert-butyl 4-butanoylpiperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-butanoylpiperazine-1-carboxylate |
| InChI | InChI=1S/C13H24N2O3/c1-5-6-11(16)14-7-9-15(10-8-14)12(17)18-13(2,3)4/h5-10H2,1-4H3 |
| InChI Key | VTEZWIZGYSMACB-UHFFFAOYSA-N |
| MDL Number | MFCD16892450 |
| Molecular Formula | C13H24N2O3 |
| Molecular Weight | 256.3413 |
| SMILES | CCCC(N1CCN(C(OC(C)(C)C)=O)CC1)=O |
| Synonyms | tert-butyl 4-butanoylpiperazine-1-carboxylate,
913952-85-9,
SCHEMBL2577240,
VTEZWIZGYSMACB-UHFFFAOYSA-N,
ZINC41115284,
AKOS029505194,
4-butyryl-piperazine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.346g/mol |
| Monoisotopic Mass | 256.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number