HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Benzylpiperidin-3-ol
N-BENZYL-3-HYDROXYPIPERIDINE · 1-BENZYL-3-HYDROXYPIPERIDINE · 1-benzyl-3-piperidol · 1-Benzyl-3-piperidin · 1-Bezyl-3-piperidinol · Benidipine Impurity 8 · N-BENZYL-3-PIPERIDINOL · 1-BENZYL-3-PIPERIDINOL
Identifikatoren & physikalische Daten
| CAS No. | 14813-01-5 |
|---|---|
| Summenformel | C12H17NO |
| Durchschnittliche Molmasse | 191,27 g/mol |
| Monoisotopische Masse | 191,13101416 g/mol |
| SMILES | OC1CCCN(Cc2ccccc2)C1 |
| InChIKey | UTTCOAGPVHRUFO-UHFFFAOYSA-N |
| PubChem CID | 85773 |
| ChEMBL | CHEMBL1504199 |
| EC No. | 238-881-0 |
| DTXSID | DTXSID301309117 |
| Lokaler Name | 1-Benzylpiperidin-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 166 |
| Siedepunkt | 140-142°C 6mm |
| Dichte | 1,056 g/cm3 |
| Brechungsindex | n20/D 1.549 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.82±0.20(Predicted) |
| Farbe | Colorless to Light yellow |
| BRN | 135964 |
| InChI | InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2 |
| InChIKey | UTTCOAGPVHRUFO-UHFFFAOYSA-N |
| SMILES | N1(CC2=CC=CC=C2)CCCC(O)C1 |
| CAS Datenbank | 14813-01-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.1%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 27-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31611 |
| Hazard Classes and Categories | Acute Tox. 3 (89.1%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-45 |
Anwendungen & Verwendung
Verwenden
Reactant for bioresolution of tertiary amino ester protic ionic liquids using subtilisinReactant for synthesis of:Muscarinic M3 selective antagonistsRho kinase inhibitorsPiperidine derivatives for investigations into α-adrenoreceptor direct activation