HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(3-Chlorpropyl)piperidinhydrochlorid
PIPERIDINOPROPYL CHLORIDE HCL · N-(3-CHLOROPROPYL)PIPERIDINE HCL · 1-(3-CHLOROPROPYL)PIPERIDINE HCL 98% · piperidinopropylchloride,hydrochloride · 1-(3-CHLOROPROPYL) PIPERIDINE HYDROCHLO& · 1-(3-chloropropyl)-piperidinhydrochloride · 3-Piperidinopropyl Chloride Hydrochloride · N-(3-CHLOROPROPYL)PIPERIDINE?HYDROCHLORID
Identifikatoren & physikalische Daten
| CAS No. | 5472-49-1 |
|---|---|
| Summenformel | C8H17Cl2N |
| Durchschnittliche Molmasse | 198,13 g/mol |
| Monoisotopische Masse | 197,0738049 g/mol |
| SMILES | Cl.ClCCCN1CCCCC1 |
| InChIKey | OBOBUDMMFXRNDO-UHFFFAOYSA-N |
| PubChem CID | 79624 |
| ChEMBL | CHEMBL4516898 |
| EC No. | 226-812-7 |
| DTXSID | DTXSID70203187 |
| Lokaler Name | N-(3-Chlorpropyl)piperidinhydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 3,2 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 79,3 |
| Schmelzpunkt | 219-223 °C(lit.) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Soluble in water |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | White to yellow |
| InChI | InChI=1S/C8H16ClN.ClH/c9-5-4-8-10-6-2-1-3-7-10/h1-8H21H |
| InChIKey | OBOBUDMMFXRNDO-UHFFFAOYSA-N |
| SMILES | N1(CCCCl)CCCCC1.Cl |
| CAS Datenbank | 5472-49-1 |
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 41 reports by companies from 4 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 |
| Zollcode | 29333990 |
| RTECS-Nr. | TM6498600 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-(3-Chloropropyl)piperidine Hydrochloride is used in preparation of Triazolotriazine derivatives as A2A receptor antagonists.