HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(Benzyl)pyrrolidin-3-ol
idin-3-oL · N-benzyl-3-pyrrolitol · N-BENZYL-3-PYRROLIDINOL · 1-BENZYL-3-PYRROLIDINOL · 1-BENZYLPYRROLIDINE-3-OL · 1-(benzyl)pyrrolidin-3-ol · 1-Benzyl-3-pyrrolidinol >1-Benzyl-3-hydroxypyrrolidin · 1-Phenylmethylpyrrolidin-3-ol
Identifikatoren & physikalische Daten
| CAS No. | 775-15-5 |
|---|---|
| Summenformel | C11H15NO |
| Durchschnittliche Molmasse | 177,24 g/mol |
| Monoisotopische Masse | 177,1153641 g/mol |
| SMILES | OC1CCN(Cc2ccccc2)C1 |
| InChIKey | YQMXOIAIYXXXEE-UHFFFAOYSA-N |
| PubChem CID | 69889 |
| EC No. | 212-273-5 |
| DTXSID | DTXSID70998682 |
| Lokaler Name | 1-(Benzyl)pyrrolidin-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 154 |
| Siedepunkt | 113-115 °C2 mm Hg(lit.) |
| Dichte | 1.07 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.548(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 14.82±0.20(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| BRN | 6039 |
| InChI | InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2 |
| InChIKey | YQMXOIAIYXXXEE-UHFFFAOYSA-N |
| SMILES | N1(CC2=CC=CC=C2)CCC(O)C1 |
| CAS Datenbank | 775-15-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (95.2%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 25-36/37/38 |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
1-Benzyl-3-pyrrolidinol was used in preparation of:potent calcium antagonist, 1-benzyl-3-pyrrolidinyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate(3R)-1-benzyl-3-methanesulfonyloxy pyrrolidine