| CAS Number | 1240586-17-7 |
| Catalog Number | AG000LHM(AGN-PC-0WBRJ7) |
| Chemical Name | 1-Piperazinecarboxylic acid, 2-cyclopropyl-, 1,1-dimethylethyl ester, (2S)- |
| IUPAC Name | tert-butyl (2S)-2-cyclopropylpiperazine-1-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-13-8-10(14)9-4-5-9/h9-10,13H,4-8H2,1-3H3/t10-/m1/s1 |
| InChI Key | WRKIMEBHYLJNGY-SNVBAGLBSA-N |
| MDL Number | MFCD08686636 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | O=C(N1[C@@H](C2CC2)CNCC1)OC(C)(C)C |
| Synonyms | 1240586-17-7,
tert-butyl (2S)-2-cyclopropylpiperazine-1-carboxylate,
(S)-TERT-BUTYL 2-CYCLOPROPYLPIPERAZINE-1-CARBOXYLATE,
SCHEMBL16908312,
1240584-61-5,
MFCD08686636,
ZINC95642331,
1-Boc-(2S)-2-Cyclopropylpiperazine,
AKOS025396118,
AB47889,
FCH3672089,
SB12133,
KS-000004M5,
AK173691,
AS-52725,
CS-0048611,
tert-butyl(2R)-2-cyclopropylpiperazine-1-carboxylate,
(S)-2-CYCLOPROPYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number