Identifikatoren & physikalische Daten
| CAS No. | 109-12-6 |
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| Summenformel | C4H5N3 |
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| Durchschnittliche Molmasse | 95,1 g/mol |
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| Monoisotopische Masse | 95,04834716 g/mol |
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| SMILES | Nc1ncccn1 |
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| InChIKey | LJXQPZWIHJMPQQ-UHFFFAOYSA-N |
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| PubChem CID | 7978 |
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| ChEMBL | CHEMBL88580 |
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| ChEBI | CHEBI:38618 |
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| EC No. | 203-648-4 |
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| DTXSID | DTXSID70870459 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
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| Polarare Oberfläche (TPSA) | 51,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 7 |
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| Formalladung | 0 |
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| Komplexität | 48,9 |
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| Stoffklassen | Nitrogen Compounds -> Pyrimidines |
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| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
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| LogP (Verteilungskoeffizient) | -0.22 |
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| Dampfdruck | 0.24 [mmHg] |
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| Physical Description | White crystalline powder[Alfa Aesar MSDS] |
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| EPA chemische Informationen | Pyrimidinamine (27043-39-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 190 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 2-Pyrimidinamine2-Pyrimidinamine: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Pyrimidine. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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