HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pipecolic Acid
PIPERIDINE-2-CARBOXYLIC ACID · PIPECOLINIC ACID · 2-PIPERIDINECARBOXYLIC ACID · DL-PIPECOLIC ACID · H-DL-Pip-OH · H-DL-HOPRO-OH · CAS:4043-87-2 · DL-HOMOPROLINE
Identifiers & Physical Properties
| CAS No. | 3105-95-1 |
|---|---|
| Molecular formula | C6H11NO2 |
| Average molar mass | 129.16 g/mol |
| Monoisotopic mass | 129.07897859 g/mol |
| SMILES | O=C(O)C1CCCCN1 |
| InChIKey | HXEACLLIILLPRG-UHFFFAOYSA-N |
| PubChem CID | 849 |
| ChEMBL | CHEMBL308408 |
| ChEBI | CHEBI:17964 |
| EC No. | 208-616-3 |
| DTXSID | DTXSID40862144 |
Chemical & Physical Properties
| XLogP | -2.3 |
|---|---|
| Topological polar surface area | 49.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 114 |
| LogP (partition coefficient) | -2.31 |
| Solubility | 314 mg/mLMethanol (Slightly), Water (Slightly) |
| Melting point | 264 °C282 °C (dec.)(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 128 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]129.3 Ų [M-H]- |
| Boiling point | 239.22°C (rough estimate) |
| Density | 1.1426 (rough estimate) |
| Refractive index | 1.4300 (estimate) |
| Storage conditions | Store at RT. |
| Physical state | Solid |
| Color | White to Off-White |
| InChI | InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9) |
| InChIKey | HXEACLLIILLPRG-UHFFFAOYSA-N |
| SMILES | C1(C(=O)O)NCCCC1 |
| CAS DataBase Reference | 4043-87-2(CAS DataBase Reference) |
| FDA UNII | H254GW7PVV |
| NIST Chemistry Reference | Pipecolic acid(4043-87-2) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319-H315 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Hazard Note | 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)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36 |
| GHS hazard statements | H319-H315 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Applications & Uses
Uses
Pipecolic acid is involved in synaptic transmission in the central nervous system.