| CAS Number | 886766-85-4 |
| Catalog Number | AG01B8OS |
| Chemical Name | Tert-butyl 3-(4-ethylphenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(4-ethylphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C17H26N2O2/c1-5-13-6-8-14(9-7-13)15-12-19(11-10-18-15)16(20)21-17(2,3)4/h6-9,15,18H,5,10-12H2,1-4H3 |
| InChI Key | IJALJBZDWHRZPL-UHFFFAOYSA-N |
| MDL Number | MFCD08685962 |
| Molecular Formula | C17H26N2O2 |
| Molecular Weight | 290.4005 |
| SMILES | CCC1=CC=C(C2NCCN(C(OC(C)(C)C)=O)C2)C=C1 |
| Synonyms | 886766-85-4,
TERT-BUTYL 3-(4-ETHYLPHENYL)PIPERAZINE-1-CARBOXYLATE,
AKOS022177588,
AB46211,
1-BOC-3-(4-ETHYLPHENYL)PIPERAZINE,
Z1998636764,
3-(4-ETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.407g/mol |
| Monoisotopic Mass | 290.199g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number