Identifikatoren & physikalische Daten
| CAS No. | 13010-20-3 |
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| Summenformel | CH3N3O2 |
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| Durchschnittliche Molmasse | 89,05 g/mol |
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| Monoisotopische Masse | 89,02252635 g/mol |
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| SMILES | NC(=O)NN=O |
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| InChIKey | OSTGTTZJOCZWJG-UHFFFAOYSA-N |
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| PubChem CID | 105035 |
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| EC No. | 846-796-0 |
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| DTXSID | DTXSID80156337 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
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| Polarare Oberfläche (TPSA) | 84,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 69 |
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| Schmelzpunkt | 111-111.3 °C (decomp) |
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| Siedepunkt | 165.09°C (rough estimate) |
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| Dichte | 1.82±0.1 g/cm3(Predicted) |
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| Brechungsindex | 1.4451 (estimate) |
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| pKa (Säurekonstante) | 7.43±0.46(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]H350 (100%): May cause cancer [Danger Carcinogenicity]H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%)Muta. 1B (100%)Carc. 1B (100%)Repr. 1B (100%) |
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| Toxizität | cyt-mus-ipr 3200 mg/kg MUREAV 38,106,76 |
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