HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,4'-Bipiperidyl
1,4'-Bipiperidine · 1-Piperidin-4-ylpiperidine · AKOS BB-9180 · 1,4'-bipiperidyl · 4-Piperidinopiperid · [1,4']BIPIPERIDINYL · 3-Boc-aminopiperidin · 1,4'-Bipiperidine 98%
Identifikatoren & physikalische Daten
| CAS No. | 4897-50-1 |
|---|---|
| Summenformel | C10H20N2 |
| Durchschnittliche Molmasse | 168,28 g/mol |
| Monoisotopische Masse | 168,16264864 g/mol |
| SMILES | C1CCN(C2CCNCC2)CC1 |
| InChIKey | QDVBKXJMLILLLB-UHFFFAOYSA-N |
| PubChem CID | 78607 |
| ChEMBL | CHEMBL174391 |
| ChEBI | CHEBI:40117 |
| EC No. | 225-522-8 |
| DTXSID | DTXSID20197648 |
| Lokaler Name | 1,4'-Bipiperidyl |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 124 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 64-66 °C (lit.) |
| Siedepunkt | 287.25°C (rough estimate) |
| Dichte | 0.9725 (rough estimate) |
| Brechungsindex | 1.6011 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Crystalline Solid |
| pKa (Säurekonstante) | 10.31±0.10(Predicted) |
| Farbe | Light yellow to yellow-brown |
| InChI | InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2 |
| InChIKey | QDVBKXJMLILLLB-UHFFFAOYSA-N |
| SMILES | N1(C2CCNCC2)CCCCC1 |
| CAS Datenbank | 4897-50-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (11.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (11.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Reactant for synthesis of: Arylthiadiazole H3 antagonists1 Water-soluble N-mustards as anticancer agents2 Antitubercular drugs3 Vasopressin1b receptor antagonists4 MDR modulators5 Selective Norepinephrine transporter inhibitors6