| CAS Number | 1692150-56-3 |
| Catalog Number | AG01C2CR |
| Chemical Name | tert-butyl 4-[2-(2-aminophenoxy)ethyl]piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[2-(2-aminophenoxy)ethyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C17H27N3O3/c1-17(2,3)23-16(21)20-10-8-19(9-11-20)12-13-22-15-7-5-4-6-14(15)18/h4-7H,8-13,18H2,1-3H3 |
| InChI Key | VGLLYWFJJPDFMJ-UHFFFAOYSA-N |
| MDL Number | MFCD29047645 |
| Molecular Formula | C17H27N3O3 |
| Molecular Weight | 321.4146 |
| SMILES | CC(OC(N1CCN(CCOC2=C(N)C=CC=C2)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-[2-(2-aminophenoxy)ethyl]piperazine-1-carboxylate,
1692150-56-3,
AKOS033848775,
ZINC230020233,
Z2284398196,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.421g/mol |
| Monoisotopic Mass | 321.205g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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