HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2,3,6-Tetrahydro-1-nitroso-2,3'-bipyridine
RMA-709 · (R,S)-NAT · N-Nitrosoanatabine · N-Nitroso-neonicotine · (R,S)-N-Nitroso Atabine · N-Nitroso rac-Anatabine · N-nitroso neonicotinine (NAT) · (±)-N-Nitrosoanatabine in acetonitrile
Identifikatoren & physikalische Daten
| CAS No. | 887407-16-1 |
|---|---|
| Summenformel | C10H11N3O |
| Durchschnittliche Molmasse | 189,21 g/mol |
| Monoisotopische Masse | 189,09021198 g/mol |
| SMILES | O=NN1CC=CCC1c1cccnc1 |
| InChIKey | ZJOFAFWTOKDIFH-UHFFFAOYSA-N |
| PubChem CID | 528366 |
| EC No. | 687-816-6 |
| DTXSID | DTXSID40868005 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 229 |
| Siedepunkt | 367.8±42.0 °C(Predicted) |
| Dichte | 1.22±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator, Under Inert Atmosphere |
| Löslichkeit | Chloroform: slightly solubleEthyl Acetate: slightly soluble |
| pKa (Säurekonstante) | 5.06±0.12(Predicted) |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2 |
| InChIKey | ZJOFAFWTOKDIFH-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CN=C2)N(N=O)CC=CC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2810 6.1/PG 3 |
| Zollcode | 29399990 |
| R-Sätze (R) | 25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 45 |
Anwendungen & Verwendung
Verwenden
A metabolite of tobacco, a specific N-nitrosamines. Shows mutagenic effects