| CAS Number | 236406-42-1 |
| Catalog Number | AG01B711(AGN-PC-0WOHK6) |
| Chemical Name | tert-Butyl 1-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate |
| IUPAC Name | tert-butyl 2-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-6-4-13(5-7-14)8-10(13)9-15/h10,15H,4-9H2,1-3H3 |
| InChI Key | RAHRDDGHHDIGTE-UHFFFAOYSA-N |
| MDL Number | MFCD20230657 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | OCC1CC12CCN(CC2)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 1-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate,
236406-42-1,
SCHEMBL8044737,
AKOS024109846,
CS-0079124,
F2147-3907,
(S)-tert-butyl 1-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number