(1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid (CAS 291775-59-2) — formula C12H19NO4, molecular weight 241.28; category pharmaceutical intermediates and APIs.
| CAS Number | 291775-59-2 |
|---|---|
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.28 |
| LogP | 1.7 |
| Category | Pharmaceutical Intermediates |
(1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid is a pharmaceutical intermediate or API compound with CAS registry number 291775-59-2 and molecular formula C12H19NO4 (molecular weight 241.28), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 291775-59-2
Its molecular formula C12H19NO4 comprises 12 C, 19 H, 1 N, 4 O atoms.
Also known as: (1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid · (1R,3S,4S)-2-(叔丁氧基羰基)-2-氮杂双环(2.2.1)庚烷-3-甲酸
Category: pharmaceutical intermediates and APIs
The CAS registry number of (1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid is 291775-59-2.
Molecular formula C12H19NO4, molecular weight 241.28.
It is also registered under: (1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid, (1R,3S,4S)-2-(叔丁氧基羰基)-2-氮杂双环(2.2.1)庚烷-3-甲酸.
Category: Pharmaceutical Intermediates.
Independent reference data for (1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid (CAS 291775-59-2), compiled from public chemistry databases.
| CAS Registry Number | 291775-59-2 |
|---|---|
| PubChem CID | 18396216 |
| Molecular formula | C12H19NO4 |
| IUPAC name | (1R,3S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| UNII (FDA) | MFCD110998 |
| Molecular Weight | 241.28 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 241.13140809 |
| Monoisotopic Mass | 241.13140809 |
| Topological Polar Surface Area | 66.8 |
| Heavy Atom Count | 17 |
(1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid; EC 625-288-0; (1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid; 2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate; 2-(1,1-Dimethylethyl) (1R,3S,4S)-2-azabicyclo(2.2.1)heptane-2,3-dicarboxylate; RefChem:393414; 625-288-0; 291775-59-2; 869682-22-4; (1R,3S,4S)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid; (1R,3S,4S)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid; MFCD11099876; exo-2-tert-butoxycarbonyl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid; 2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1R,3S,4S)-; Rel-(1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid; (3S)-N-BOC-2-AZABICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID
| GHS notification summary | 2.4% (1 / 41) |
|---|
| GHS notification summary | 2.4% (1 / 41) |
|---|---|
| Reported hazard statements | H315 (97.6%), H319 (97.6%), H335 (97.6%), H360 (97.6%), H400 (97.6%) |
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
(1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid · CAS 291775-59-2 · C12H19NO4. UNII MFCD110998.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.