HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Benzylpiperidin-4-ol
N-BENZYL-4-PIPERIDINOL · 1-BENZYL-4-PIPERIDINOL · 1-Benzyl-piperidin-4-ol · NSC 72991 · Compound Fr12729 · benzyl-4-piperidinol · LABOTEST-BB LT00159455 · Revefenacin Impurity 33
Identifikatoren & physikalische Daten
| CAS No. | 4727-72-4 |
|---|---|
| Summenformel | C12H17NO |
| Durchschnittliche Molmasse | 191,27 g/mol |
| Monoisotopische Masse | 191,13101416 g/mol |
| SMILES | OC1CCN(Cc2ccccc2)CC1 |
| InChIKey | BPPZXJZYCOETDA-UHFFFAOYSA-N |
| PubChem CID | 78461 |
| ChEMBL | CHEMBL4796237 |
| EC No. | 225-226-9 |
| DTXSID | DTXSID80197083 |
| Lokaler Name | 1-Benzylpiperidin-4-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 | 14 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 61-63 °C(lit.) |
| Siedepunkt | 127-128 °C2 mm Hg(lit.) |
| Dichte | 1.0096 (rough estimate) |
| Brechungsindex | 1.5212 (estimate) |
| Flammpunkt | 121-123°C/0.7mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Methanol |
| pKa (Säurekonstante) | 14.87±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to yellow |
| BRN | 146118 |
| InChI | InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2 |
| InChIKey | BPPZXJZYCOETDA-UHFFFAOYSA-N |
| SMILES | N1(CC2=CC=CC=C2)CCC(O)CC1 |
| CAS Datenbank | 4727-72-4(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Piperidinol, 1-(phenylmethyl)-(4727-72-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (81.2%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (81.2%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29333990 |
| R-Sätze (R) | 25-36/37/38-20/21/22 |
| Gefahrensymbole | T,C,Xi,Xn |
| Sicherheitshinweise (S) | 26-45-37/39-36 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Benzyl-4-hydroxypiperidine is the reactant for synthesis of: Muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist1 Fatty acid amide hydrolase inhibitors PI3 kinase-alpha inhibitors Flavonoid derivatives used as dual binding acetylcholinesterase inhibitors Urotensin-II receptor antagonists Rho kinase inhibitors.