| CAS Number | 2031268-95-6 |
| Catalog Number | AG01B7H6 |
| Chemical Name | tert-Butyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate |
| IUPAC Name | tert-butyl 1-prop-2-ynylpiperidine-4-carboxylate |
| InChI | InChI=1S/C13H21NO2/c1-5-8-14-9-6-11(7-10-14)12(15)16-13(2,3)4/h1,11H,6-10H2,2-4H3 |
| InChI Key | LPHLFOILAJZNGM-UHFFFAOYSA-N |
| MDL Number | MFCD30344771 |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.3113 |
| SMILES | CC(OC(C1CCN(CC#C)CC1)=O)(C)C |
| Synonyms | tert-butyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate,
2031268-95-6,
ZINC490604760,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.316g/mol |
| Monoisotopic Mass | 223.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number