| CAS Number | 1404311-93-8 |
| Catalog Number | AG01FFOH(AGN-PC-0WD8NP) |
| Chemical Name | tert-Butyl (2S,5S)-5-ethyl-2-methylpiperazine-1-carboxylate |
| IUPAC Name | tert-butyl (2S,5S)-5-ethyl-2-methylpiperazine-1-carboxylate |
| InChI | InChI=1S/C12H24N2O2/c1-6-10-8-14(9(2)7-13-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t9-,10-/m0/s1 |
| InChI Key | YZHZLLZTMYDRLG-UWVGGRQHSA-N |
| MDL Number | MFCD12407300 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | O=C(N1[C@@H](C)CN[C@@H](CC)C1)OC(C)(C)C |
| Synonyms | 1404311-93-8,
AKOS030238424,
SB12586,
tert-butyl (2S,5S)-5-ethyl-2-methylpiperazine-1-carboxylate,
tert-butyl(2S,5S)-5-ethyl-2-methylpiperazine-1-carboxylate,
1-n-boc-2(s)-methyl-5(s)-ethyl piperazine,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number