HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 20189Erstellt: 4. November 2026
D-Melphalan
CB 3026 · Medphlan · Medfalan · NSC 35051 · Medphalan · 3026 C.B. · 3026 C. B. · D-Melphalan
https://huagongshe.com/de/chemical/20189
Identifikatoren & physikalische Daten
| CAS No. | 13045-94-8 |
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| Summenformel | C13H18Cl2N2O2 |
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| Durchschnittliche Molmasse | 305,2 g/mol |
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| Monoisotopische Masse | 304,0745332 g/mol |
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| SMILES | N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O |
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| InChIKey | SGDBTWWWUNNDEQ-GFCCVEGCSA-N |
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| PubChem CID | 20189 |
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| ChEMBL | CHEMBL250892 |
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| EC No. | 814-399-1 |
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| DTXSID | DTXSID00893737 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
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| Polarare Oberfläche (TPSA) | 66,6 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 8 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 265 |
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| Schmelzpunkt | 181.75°C (rough estimate) |
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| Dichte | 1.3587 (rough estimate) |
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| Brechungsindex | 1.6070 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| InChI | InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m1/s1 |
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| InChIKey | SGDBTWWWUNNDEQ-GFCCVEGCSA-N |
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| SMILES | C(O)(=O)[C@@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (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 | Skin Irrit. 2 (100%) |
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| Carcinogen Classification | MedphalanGroup 3: Not classifiable as to its carcinogenicity to humansVolume 9: (1975) Some Aziridines, N-, S- and O-Mustards and Selenium1987 |
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| Toxizität | LD50 intracrebral in rat: 113ug/kg |
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