tert-Butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate CAS 1087784-78-8
| CAS No. | 1087784-78-8 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
tert-Butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate (CAS 1087784-78-8), molecular formula C12H21NO3 and molecular weight 227.30 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate (C12H21NO3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 227.30 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.30 g/mol |
| Appearance | White to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 1 |
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