| CAS Number | 1232152-74-7 |
| Catalog Number | AG01BALO |
| Chemical Name | Tert-butyl 4-(but-3-yn-1-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-but-3-ynylpiperazine-1-carboxylate |
| InChI | InChI=1S/C13H22N2O2/c1-5-6-7-14-8-10-15(11-9-14)12(16)17-13(2,3)4/h1H,6-11H2,2-4H3 |
| InChI Key | NDBBLLCYPXUQNU-UHFFFAOYSA-N |
| MDL Number | MFCD18250548 |
| Molecular Formula | C13H22N2O2 |
| Molecular Weight | 238.3260 |
| SMILES | C#CCCN1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL 4-(BUT-3-YN-1-YL)PIPERAZINE-1-CARBOXYLATE,
1232152-74-7,
SCHEMBL2338409,
NDBBLLCYPXUQNU-UHFFFAOYSA-N,
ZINC95762398,
AKOS026715677,
AB73210,
tert-butyl 4-(but-3-ynyl)piperazine-1-carboxylate,
4-but-3-ynyl-piperazine-1-carboxylic acid t-butyl ester,
F2147-2121,
TERT-BUTYL 4-BUT-3-YNYLPIPERAZINE-1-CARBOXYLATE,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.331g/mol |
| Monoisotopic Mass | 238.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number