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HCID 228365Erstellt: 27. Oktober 2026
1-Benzyl-1,4-diazepane
BUTTPARK 33\08-21 · 1-BENZYLHOMOPIPERAZINE · 1-BENZYL-1,4-DIAZEPANE · N-BENZYLHOMOPIPERAZINE · 1-Benzylhomopiperazine,98% · 1-Benzyl-1,4-diazepane ,98% · 1-Benzylhomopiperazine 95+% · 1-BENZYL-1,4-DIAZACYCLOHEPTANE
https://huagongshe.com/de/chemical/228365
Identifikatoren & physikalische Daten
| CAS No. | 4410-12-2 |
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| Summenformel | C12H18N2 |
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| Durchschnittliche Molmasse | 190,28 g/mol |
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| Monoisotopische Masse | 190,14699858 g/mol |
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| SMILES | c1ccc(CN2CCCNCC2)cc1 |
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| InChIKey | JTJTYCPQUOROFM-UHFFFAOYSA-N |
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| PubChem CID | 228365 |
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| EC No. | 625-579-2 |
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| DTXSID | DTXSID70281304 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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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 | 2 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 152 |
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| Schmelzpunkt | 54-56 °C |
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| Siedepunkt | 93 °C |
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| Dichte | 1.028 g/mL at 25 °C |
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| Brechungsindex | n20/D 1.547 |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | liquid |
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| pKa (Säurekonstante) | 10.59±0.20(Predicted) |
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| Farbe | Clear |
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| BRN | 147009 |
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| InChI | 1S/C12H18N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2 |
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| InChIKey | JTJTYCPQUOROFM-UHFFFAOYSA-N |
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| SMILES | C1CNCCN(C1)Cc2ccccc2 |
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| CAS Datenbank | 4410-12-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (89.1%): 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 46 reports by companies from 6 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 (89.1%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| UN-Transportnummer | 2735 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | 8Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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