N-Boc-9-azabicyclo[3.3.1]nonan-3-one (CAS 512822-27-4) — formula C13H21NO3, molecular weight 239.31; category organic chemicals.
| CAS Number | 512822-27-4 |
|---|---|
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.31 |
| LogP | 1.5 |
| Category | Organic Chemicals |
N-Boc-9-azabicyclo[3.3.1]nonan-3-one is a carbon-based organic compound with CAS registry number 512822-27-4 and molecular formula C13H21NO3 (molecular weight 239.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 512822-27-4
Its molecular formula C13H21NO3 comprises 13 C, 21 H, 1 N, 3 O atoms.
Also known as: N-Boc-9-azabicyclo[3.3.1]nonan-3-one · N-Boc-9-氮杂双环[3.3.1]壬南-3-酮
Category: organic chemicals
The CAS registry number of N-Boc-9-azabicyclo[3.3.1]nonan-3-one is 512822-27-4.
Molecular formula C13H21NO3, molecular weight 239.31.
It is also registered under: N-Boc-9-azabicyclo[3.3.1]nonan-3-one, N-Boc-9-氮杂双环[3.3.1]壬南-3-酮.
Category: Organic Chemicals.
Independent reference data for N-Boc-9-azabicyclo[3.3.1]nonan-3-one (CAS 512822-27-4), compiled from public chemistry databases.
| CAS Registry Number | 512822-27-4 |
|---|---|
| PubChem CID | 45790088 |
| Molecular formula | C13H21NO3 |
| IUPAC name | tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate |
| Molecular Weight | 239.31 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 239.15214353 |
| Monoisotopic Mass | 239.15214353 |
| Topological Polar Surface Area | 46.6 |
| Heavy Atom Count | 17 |
N-Boc-9-azabicyclo[3.3.1]nonan-3-one; N-Boc-9-azabicyclo(3.3.1)nonan-3-one; RefChem:829327; 815-581-3; 512822-27-4; tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate; MFCD20275544; 3-OXO-9-AZA-BICYCLO[3.3.1]NONANE-9-CARBOXYLIC ACID TERT-BUTYL ESTER; SCHEMBL156133; DTXSID10672217; YEKYAQUJESJBFI-UHFFFAOYSA-N; AKOS015920224; AC-2445; CS-W006193; PB10805; AS-18391
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
N-Boc-9-azabicyclo[3.3.1]nonan-3-one · CAS 512822-27-4 · C13H21NO3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.