HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 130021Erstellt: 5. November 2026
(3-Aminopropyl)(n-butyl)phosphinic acid
DVD-742 · SGS 742 · CGP36742 · Lu-AE58479 · CGP 36742(SGS-742) · CGP36742 >=97% (NMR) · 3-aminopropyl(butyl)phosphinic acid · P-(3-aMinopropyl)-P-butyl-Phosphinic acid
https://huagongshe.com/de/chemical/130021
Identifikatoren & physikalische Daten
| CAS No. | 123690-78-8 |
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| Summenformel | C7H18NO2P |
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| Durchschnittliche Molmasse | 179,2 g/mol |
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| SMILES | CCCCP(=O)(O)CCCN |
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| InChIKey | ONNMDRQRSGKZCN-UHFFFAOYSA-N |
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| PubChem CID | 130021 |
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| ChEMBL | CHEMBL112797 |
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| EC No. | 802-883-5 |
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| DTXSID | DTXSID10154063 |
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Chemische & physikalische Eigenschaften
| XLogP | -2,7 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 138 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Siedepunkt | 383.9±25.0 °C(Predicted) |
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| Dichte | 1.057±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | room temp |
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| Löslichkeit | H2O: soluble10mg/mL (clear solution, warmed)H2O: 10mg/mL (clear solution, warmed) |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | 2.91±0.50(Predicted) |
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| Farbe | white to beige |
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| InChI | 1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10) |
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| InChIKey | ONNMDRQRSGKZCN-UHFFFAOYSA-N |
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| SMILES | CCCCP(O)(=O)CCCN |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 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 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| RTECS-Nr. | SZ4113300 |
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| R-Sätze (R) | 22-36 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
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