| CAS Number | 865314-27-8 |
| Catalog Number | AG00IE3Z(AGN-PC-0V6ALG) |
| Chemical Name | Tert-butyl 4-(3-bromobenzyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(3-bromophenyl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(17)11-13/h4-6,11H,7-10,12H2,1-3H3 |
| InChI Key | OGPMLLFLZWGTPN-UHFFFAOYSA-N |
| MDL Number | MFCD09953045 |
| Molecular Formula | C16H23BrN2O2 |
| Molecular Weight | 355.2700 |
| SMILES | c1(cccc(c1)Br)CN1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL 4-(3-BROMOBENZYL)PIPERAZINE-1-CARBOXYLATE,
865314-27-8,
SCHEMBL1632715,
DTXSID50701797,
OGPMLLFLZWGTPN-UHFFFAOYSA-N,
AKOS025286365,
ZINC116722565,
AM87268,
A1-06564,
tert-butyl 4-[(3-bromophenyl)methyl]piperazine-1-carboxylate,
1,1-dimethylethyl 4-[(3-bromophenyl)methyl]-1-piperazinecarboxylate,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.276g/mol |
| Monoisotopic Mass | 354.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number