HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
L-(Pyrrolidin-1-yl)methanol
(S)-Pyrrolidin-2-ylmethanol · L-PROLINOL · (S)-PROLINOL · (S)-(+)-2-PYRROLIDINEMETHANOL · (2S)-2-Pyrrolidinemethanol · (S)-(+)-2-(HYDROXYMETHYL)PYRROLIDINE · H-PRO-OL · S-2-PYRROLIDINEMETHANOL
Identifikatoren & physikalische Daten
| CAS No. | 23356-96-9 |
|---|---|
| Summenformel | C5H11NO |
| Durchschnittliche Molmasse | 101,15 g/mol |
| SMILES | OC[C@@H]1CCCN1 |
| InChIKey | HVVNJUAVDAZWCB-YFKPBYRVSA-N |
| PubChem CID | 640091 |
| ChEMBL | CHEMBL1916080 |
| EC No. | 245-605-2 |
| Lokaler Name | L-(Pyrrolidin-1-yl)methanol |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 56 |
| Schmelzpunkt | 42-44℃ |
| Siedepunkt | 74-76 °C2 mm Hg(lit.) |
| Dichte | 1.036 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.4853(lit.) |
| Flammpunkt | 187 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | ChloroformFully miscible in water. Soluble in chloroform. |
| pKa (Säurekonstante) | 14.77±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.025 |
| Farbe | Clear colorless to pale yellow |
| BRN | 79843 |
| InChI | 1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1 |
| InChIKey | HVVNJUAVDAZWCB-YFKPBYRVSA-N |
| SMILES | OC[C@@H]1CCCN1 |
| CAS Datenbank | 23356-96-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (94.7%): 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 57 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18329 |
| Hazard Classes and Categories | Skin Irrit. 2 (94.7%) |
| F | 3-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29221990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Air Sensitive |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1STOT SE 3 |
Anwendungen & Verwendung
Verwenden
L-Prolinol is an intermediate in the synthesis of Physostigmine and Physostigmine derivative used for treatment of Alzheimer's disease.