| CAS Number | 1334495-29-2 |
| Catalog Number | AG01AI71(AGN-PC-0WO4W9) |
| Chemical Name | Tert-butyl 2-(1-hydroxyethyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-(1-hydroxyethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C12H23NO3/c1-9(14)10-7-5-6-8-13(10)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3 |
| InChI Key | HYTHUSLXQOXIBJ-UHFFFAOYSA-N |
| MDL Number | MFCD20232812 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | CC(C1N(C(OC(C)(C)C)=O)CCCC1)O |
| Synonyms | tert-butyl 2-(1-hydroxyethyl)piperidine-1-carboxylate,
1334495-29-2,
SCHEMBL1977681,
AKOS023830499,
AM91893,
MCULE-4777818108,
NE16569,
Z1272672458,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number