HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1S,2S)-2-Aminocyclohexanecarboxylic Acid
(1S,2S)-2-ammoniocyclohexanecarboxylate · (1S,2S)-2-AMINOCYCLOHEXANECARBOXYLIC ACID · (1S,2S)-2-Aminocyclohexanecarboxylic Acid >Cyclohexanecarboxylic acid, 2-amino-, (1S,2S)- · trans-(1S,2S)-2-Aminocyclohexanecarboxylic acid · Cyclohexanecarboxylic acid, 2-aMino-, (1S,2S)- (9CI) · (1S,2S)-2-aminocyclohexanecarboxylic acid hydrochloride
Identifiers & Physical Properties
| CAS No. | 24716-92-5 |
|---|---|
| Molecular formula | C7H13NO2 |
| Average molar mass | 143.18 g/mol |
| Monoisotopic mass | 143.09462866 g/mol |
| SMILES | N[C@H]1CCCC[C@@H]1C(=O)O |
| InChIKey | USQHEVWOPJDAAX-WDSKDSINSA-N |
| PubChem CID | 7128323 |
| EC No. | 108-410-2 |
| DTXSID | DTXSID90427828 |
Chemical & Physical Properties
| XLogP | -1.5 |
|---|---|
| Topological polar surface area | 63.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 136 |
| Melting point | 0°C |
| Boiling point | 0°C |
| Density | 1.133±0.06 g/cm3(Predicted) |
| Refractive index | 76.5 ° (C=1, H2O) |
| Flash point | 0°C |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | 3.77±0.28(Predicted) |
| Solubility | Soluble in water. |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xn |
| Risk statements (R) | 36/37/38-22 |
| Safety statements (S) | 26-36/37/39 |
| Customs code | 2922390090 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Customs code | 2922390090 |
| Risk statements (R) | 36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-36/37/39 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
(1S,2S)-2-Aminocyclohexanecarboxylic acid is used in the preparation of enantiomerically pure beta-amino acids. It is also involved in the synthesis of mono and dihydroxylated derivatives of 2-aminocyclohexanecarboxylic acid by Diels-Alder adduct of ethyl(E)-3-nitroacrylate and furan.