| CAS Number | 745738-05-0 |
| Catalog Number | AG00FSX7(AGN-PC-09E90H) |
| Chemical Name | tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C12H24N2O3/c1-10(15)9-13-5-7-14(8-6-13)11(16)17-12(2,3)4/h10,15H,5-9H2,1-4H3 |
| InChI Key | IZECLTNHJKKPLG-UHFFFAOYSA-N |
| MDL Number | MFCD06657040 |
| Molecular Formula | C12H24N2O3 |
| Molecular Weight | 244.3306 |
| SMILES | CC(CN1CCN(C(OC(C)(C)C)=O)CC1)O |
| Synonyms | tert-Butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate,
745738-05-0,
SCHEMBL16825817,
DTXSID60680867,
ANW-61183,
AKOS015957769,
AB25575,
SC-58601,
TC-149928,
4-(2-hydroxy-propyl)-piperazine-1-carboxylic acid,
tert-butyl 4-[(2S)-2-hydroxypropyl]piperazine-1-carboxylate,
132710-90-8,
4- -PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER,
4-(2-Hydroxypropyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.335g/mol |
| Monoisotopic Mass | 244.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number