HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 796534Erstellt: 27. Oktober 2026
1-(3-Phenylpropyl)piperazine
TIMTEC-BB SBB003508 · RARECHEM AH CK 0164 · Phenylpropylpiperazine · 1-(3-Phenypropyl)piperazine · 1-(3-PHENYLPROPYL)PIPERAZINE · Piperazine, 1-(3-phenylpropyl)- · 1-(3-Phenylpropyl)piperazine 98% · 1-(3-PHENYLPROPYL)PIPERAZINE ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/796534
Identifikatoren & physikalische Daten
| CAS No. | 55455-92-0 |
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| Summenformel | C13H20N2 |
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| Durchschnittliche Molmasse | 204,31 g/mol |
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| Monoisotopische Masse | 204,16264864 g/mol |
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| SMILES | c1ccc(CCCN2CCNCC2)cc1 |
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| InChIKey | LOJCUYCKDGYLJH-UHFFFAOYSA-N |
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| PubChem CID | 796534 |
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| ChEMBL | CHEMBL143750 |
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| EC No. | 639-327-4 |
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| DTXSID | DTXSID60970795 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 15,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 158 |
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| Siedepunkt | 134 °C |
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| Dichte | 0.980±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 9.24±0.10(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2 |
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| InChIKey | LOJCUYCKDGYLJH-UHFFFAOYSA-N |
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| SMILES | C(CN1CCNCC1)Cc2ccccc2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 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 (33.3%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| R-Sätze (R) | 36/37/38-25 |
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| Gefahrensymbole | Xi,T |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
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