Identifikatoren & physikalische Daten
| CAS No. | 103090-47-7 |
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| Summenformel | C10H12ClN5O4 |
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| Durchschnittliche Molmasse | 301,69 g/mol |
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| Monoisotopische Masse | 301,05778154 g/mol |
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| SMILES | Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
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| InChIKey | BIXYYZIIJIXVFW-UUOKFMHZSA-N |
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| PubChem CID | 8974 |
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| ChEMBL | CHEMBL285819 |
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| ChEBI | CHEBI:125640 |
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| EC No. | 205-678-3 |
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| DTXSID | DTXSID301017134 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
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| Polarare Oberfläche (TPSA) | 140 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 367 |
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| Löslichkeit | >45.3 [ug/mL] (The mean of the results at pH 7.4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (40%) |
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