HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pyrrolidin-1-ylacetic acid
AKOS BC-0363 · AKOS BBS-00000323 · RARECHEM AL BO 0350 · SALOR-INT L481092-1EA · Cinepazide Impurity 20 · (1-Pyrrolyl)Acetic acid · 1-PYRROLIDINEACETIC ACID · N-PYRROLIDINOACETIC ACID
Identifiers & Physical Properties
| CAS No. | 37386-15-5 |
|---|---|
| Molecular formula | C6H11NO2 |
| Average molar mass | 129.16 g/mol |
| Monoisotopic mass | 129.07897859 g/mol |
| SMILES | O=C(O)CN1CCCC1 |
| InChIKey | IPXNXMNCBXHYLQ-UHFFFAOYSA-N |
| PubChem CID | 414564 |
| EC No. | 675-214-6 |
| DTXSID | DTXSID90328861 |
Chemical & Physical Properties
| XLogP | -2.8 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 108 |
| Melting point | 184-185 °C |
| Boiling point | 233.8±23.0 °C(Predicted) |
| Density | 1.153±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly, Sonicated, Heated), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 2.47±0.10(Predicted) |
| Color | Pale Yellow |
| InChI | InChI=1S/C6H11NO2/c8-6(9)5-7-3-1-2-4-7/h1-5H2,(H,8,9) |
| InChIKey | IPXNXMNCBXHYLQ-UHFFFAOYSA-N |
| SMILES | N1(CC(O)=O)CCCC1 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
Applications & Uses
Uses
1-Pyrrolidineacetic Acid is a useful reactant and reagent in organic reactions. It can be found used in cosmetic products such as wrinkle-preventive/ameliorating products.