| CAS Number | 77278-68-3 |
| Catalog Number | AG00G9LK(AGN-PC-0UBASV) |
| Chemical Name | Tert-butyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C14H22N2O2S/c1-14(2,3)18-13(17)16-8-6-15(7-9-16)11-12-5-4-10-19-12/h4-5,10H,6-9,11H2,1-3H3 |
| InChI Key | XCORMTCZQFGXFU-UHFFFAOYSA-N |
| MDL Number | MFCD21102708 |
| Molecular Formula | C14H22N2O2S |
| Molecular Weight | 282.4017 |
| SMILES | O=C(N1CCN(CC1)Cc1cccs1)OC(C)(C)C |
| Synonyms | tert-butyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate,
77278-68-3,
SCHEMBL2023366,
KM1834,
ZINC75609092,
V7710,
1-Piperazinecarboxylic acid, 4-(2-thienylmethyl)-, 1,1-dimethylethyl ester,
C14H22N2O2S,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.402g/mol |
| Monoisotopic Mass | 282.14g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number