HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(S)-Piperidin-2-carbonsure
L-PIPECOLIC ACID · (S)-PIPERIDINE-2-CARBOXYLIC ACID · L-PIPECOLINIC ACID · h-pip-oh · L-PIPECOLATE · HOMOPROLINE · L-(-)-PIPECOLINIC ACID · L-2-Pipecolinic acid
Identifikatoren & physikalische Daten
| CAS No. | 3105-95-1 |
|---|---|
| Summenformel | C6H11NO2 |
| Durchschnittliche Molmasse | 129,16 g/mol |
| Monoisotopische Masse | 129,07897859 g/mol |
| SMILES | O=C(O)[C@@H]1CCCCN1 |
| InChIKey | HXEACLLIILLPRG-YFKPBYRVSA-N |
| PubChem CID | 439227 |
| ChEMBL | CHEMBL322883 |
| ChEBI | CHEBI:30913 |
| EC No. | 221-462-1 |
| DTXSID | DTXSID401035840 |
| Lokaler Name | (S)-Piperidin-2-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | -2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 114 |
| Schmelzpunkt | 272 °C272 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 126.71 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]133.82 Ų [M-H]- [CCS Type: DTMethod: stepped-field]128.9 Ų [M-H]- |
| Siedepunkt | 239.22°C (rough estimate) |
| Dichte | 1.1426 (rough estimate) |
| Brechungsindex | -27 ° (C=4, H2O) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Water: Soluble |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | 2.28(at 25℃) |
| Farbe | White |
| Merck | 14,7458 |
| BRN | 81093 |
| InChI | 1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 |
| InChIKey | HXEACLLIILLPRG-YFKPBYRVSA-N |
| SMILES | OC(=O)[C@@H]1CCCCN1 |
| CAS Datenbank | 3105-95-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Pipecolic acid is involved in synaptic transmission in the central nervous system. The l-form occurs in plants.