HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Cyclohexyl-L-alanine
(S)-2-AMino-3-cyclohexylpropanoic acid · H-L-CHA-OH · L-CHA · Cha-OH · L-CHA-OH · (S)-CYCLOHEXYLALANINE · 3-CYCLOHEXYL-L-ALANINE · 2-AMINO-3-CYCLOHEXYLPROPANOIC ACID
Identifiers & Physical Properties
| CAS No. | 27527-05-5 |
|---|---|
| Molecular formula | C9H17NO2 |
| Average molar mass | 171.24 g/mol |
| Monoisotopic mass | 171.12592878 g/mol |
| SMILES | N[C@@H](CC1CCCCC1)C(=O)O |
| InChIKey | ORQXBVXKBGUSBA-QMMMGPOBSA-N |
| PubChem CID | 712421 |
| ChEMBL | CHEMBL383208 |
| EC No. | 839-318-7 |
| DTXSID | DTXSID60351883 |
Chemical & Physical Properties
| XLogP | -0.3 |
|---|---|
| Topological polar surface area | 63.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 153 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Melting point | 322 °C |
| Boiling point | 307.1±25.0 °C(Predicted) |
| Density | 1.075±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (acidity coefficient) | 2.33±0.10(Predicted) |
| Physical state | Solid |
| Color | White to off-white |
| InChI | InChI=1/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/s3 |
| InChIKey | ORQXBVXKBGUSBA-SBYBRXNCNA-N |
| SMILES | C1(CCCCC1)C[C@H](N)C(=O)O |&1:7,r| |
| CAS DataBase Reference | 27527-05-5(CAS DataBase Reference) |
| FDA UNII | GYR4SF0FVQ |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 22-24/25-37/39-26 |
| Water hazard class (WGK) | 3 |
| F | 10 |
| Hazard Note | Irritant |
| Customs code | 2922498590 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Water hazard class (WGK) | 3 |
| Customs code | 2922498590 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 22-24/25-37/39-26 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Description
L-Cyclohexylalanine is a kind of amino acid analog. It has some pharmacological effects. Study has shown that some of its derivatives exhibit potent bactericidal activity against drug-resistant gram-positive pathogens. Its derivatives can also act as dipeptidyl peptidase-IV inhibitor, which can be used for the treatment or prevention of diabetes.
Uses
(S)-(+)-Cyclohexylalanine