| CAS Number | 1070716-32-3 |
| Catalog Number | AG0096U6 |
| Chemical Name | 1,1-Dimethylethyl 4-(4-chlorophenyl)-1-piperazinecarboxylate |
| IUPAC Name | tert-butyl 4-(4-chlorophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3 |
| InChI Key | KWGJPILHSLHTNW-UHFFFAOYSA-N |
| MDL Number | MFCD11872564 |
| Molecular Formula | C15H21ClN2O2 |
| Molecular Weight | 296.7924 |
| SMILES | O=C(N1CCN(CC1)c1ccc(cc1)Cl)OC(C)(C)C |
| Synonyms | tert-butyl 4-(4-chlorophenyl)piperazine-1-carboxylate,
1070716-32-3,
t-butyl 4-(4-chlorophenyl)piperazine-1-carboxylate,
SCHEMBL1458941,
KWGJPILHSLHTNW-UHFFFAOYSA-N,
MFCD11872564,
ZINC82610387,
AKOS013101197,
RL00306,
BBV-40043153,
J-524627,
4-(4-Chlorophenyl)piperazine-1-carboxylic acid tert-butyl ester,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.795g/mol |
| Monoisotopic Mass | 296.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number