| CAS Number | 147539-53-5 |
| Catalog Number | AG01C7MT(AGN-PC-0Q0IWL) |
| Chemical Name | Tert-butyl 4-(2-methylbut-3-yn-2-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-methylbut-3-yn-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C14H24N2O2/c1-7-14(5,6)16-10-8-15(9-11-16)12(17)18-13(2,3)4/h1H,8-11H2,2-6H3 |
| InChI Key | WFNQLXYKGVWFQO-UHFFFAOYSA-N |
| MDL Number | MFCD16990534 |
| Molecular Formula | C14H24N2O2 |
| Molecular Weight | 252.3526 |
| SMILES | CC(C)(C#C)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(2-methylbut-3-yn-2-yl)piperazine-1-carboxylate,
147539-53-5,
SCHEMBL4382780,
WFNQLXYKGVWFQO-UHFFFAOYSA-N,
AKOS034085780,
1-(1,1-Dimethylethoxycarbonyl)-4-(1,1-dimethylprop-2-ynyl)piperazine,
4-(1,1-Dimethylprop-2-ynyl)piperazine-1-carboxylic Acid tert-butyl Ester,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.358g/mol |
| Monoisotopic Mass | 252.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number