| CAS Number | 886779-85-7 |
| Catalog Number | AG01BJLT |
| Chemical Name | 3-Cyclopropyl-piperazine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-cyclopropylpiperazine-1-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-13-10(8-14)9-4-5-9/h9-10,13H,4-8H2,1-3H3 |
| InChI Key | HHEGEBMPXPIGCR-UHFFFAOYSA-N |
| MDL Number | MFCD08686632 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | C(C)(C)(C)OC(=O)N1CC(NCC1)C1CC1 |
| Synonyms | 886779-85-7,
3-CYCLOPROPYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
TERT-BUTYL 3-CYCLOPROPYLPIPERAZINE-1-CARBOXYLATE,
DTXSID00700159,
AKOS023670945,
AB47880,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number