HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N,N'-Octamethylenbis(dichloracetamid)
SKL878 · r-010-tk · win18441 · win18446 · win18,446 · NSC 59354 · bisdiamine · FERTILYSIN
Identifikatoren & physikalische Daten
| CAS No. | 1477-57-2 |
|---|---|
| Summenformel | C12H20Cl4N2O2 |
| Durchschnittliche Molmasse | 366,1 g/mol |
| Monoisotopische Masse | 364,027889 g/mol |
| SMILES | O=C(NCCCCCCCCNC(=O)C(Cl)Cl)C(Cl)Cl |
| InChIKey | FAOMZVDZARKPFJ-UHFFFAOYSA-N |
| PubChem CID | 15134 |
| ChEMBL | CHEMBL3276621 |
| ChEBI | CHEBI:90441 |
| EC No. | 216-033-0 |
| DTXSID | DTXSID80163783 |
| Lokaler Name | N,N'-Octamethylenbis(dichloracetamid) |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 261 |
| Schmelzpunkt | 118-120 °C |
| Siedepunkt | 530℃ |
| Dichte | 0.726 |
| Brechungsindex | 1.6200 (estimate) |
| Flammpunkt | 275℃ |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Acetone (Very Slightly), DMSO (Slightly), Methanol (Sparingly, Heated, Sonicated |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.28±0.46(Predicted) |
| Farbe | White to Off-White |
| InChI | 1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20) |
| InChIKey | FAOMZVDZARKPFJ-UHFFFAOYSA-N |
| SMILES | O=C(NCCCCCCCCNC(C(Cl)Cl)=O)C(Cl)Cl |
| CAS Datenbank | 1477-57-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| R-Sätze (R) | 20/21/22-40 |
| Toxizität | LD50 orally in mice: >16000 mg/kg (Coulston) |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25-45-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationCarc. 2 |
Anwendungen & Verwendung
Verwenden
Win 18446 was shown to inhibit the biosynthesis of retinoic acid from retinol in neonatal and adult murine testis and in the embryonic murine gonad.