HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hexahydro-1-nitroso-1H-azepin
NHI · n-6-mi · 1-nitrosoazepane · n-nitrosoazacycloheptane · n-nitrosoperhydroazepine · n-nitrosohexahydroazepine · Pivmecillinam Impurity 10 · HEXAHYDRO-1-NITROSOAZEPINE
Identifikatoren & physikalische Daten
| CAS No. | 932-83-2 |
|---|---|
| Summenformel | C6H12N2O |
| Durchschnittliche Molmasse | 128,17 g/mol |
| Monoisotopische Masse | 128,09496301 g/mol |
| SMILES | O=NN1CCCCCC1 |
| InChIKey | UZMVSVHUTOAPTD-UHFFFAOYSA-N |
| PubChem CID | 13613 |
| ChEMBL | CHEMBL165191 |
| EC No. | 213-258-6 |
| DTXSID | DTXSID0021040 |
| Lokaler Name | Hexahydro-1-nitroso-1H-azepin |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Stoffklassen | Nitrogen Compounds -> Nitrosamines |
| LogP (Verteilungskoeffizient) | 0.92 |
| Dampfdruck | 0.45 [mmHg] |
| Physical Description | Yellow liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 233 °C(lit.) |
| Dichte | 1.06 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.497(lit.) |
| Flammpunkt | 99 °C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)12.82g/L(24 ºC) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | -3.18±0.20(Predicted) |
| Farbe | Colourless |
| Henry-Konstante | 4.3×101 mol/(m3Pa) at 25℃, Mirvish et al. (1976) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Hazard Traits - Carcinogenicity |
| Gefahrenübersicht | Causes convulsions in oral lethal-dose studies of ratsCauses other liver changes, chronic pulmonary edema, and changes in blood vessels or circulation of the kidney in subcutaneous lethal-dose studies of mice[RTECS] A skin and strong eye irritantHarmful by ingestionPossible carcinogen[Sigma-Aldrich MSDS] See NITROSAMINES. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | CM3325000 |
| R-Sätze (R) | 45-22-36/37/38 |
| Toxizität | LD50 orl-rat: 336 mg/kg CNREA8 28,1217,68 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 53-36/37/39-45 |
Anwendungen & Verwendung
Verwenden
N-Nitrosohexamethylenimine is a carcinogen.