HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2756613Erstellt: 27. Oktober 2026
1-Benzyl-3-aminopyrrolidine
1-BENZYLPYRROLIDIN-3-AMINE · 1-Benzy-3-aminopyrrolidine · 1-Benzyl-3-pyrrolidinamine · 3-AMINO-1-BENZYLPYRROLIDINE · 1-BENZYL-3-AMINOPYRROLIDINE · N-1-Benzy-3-aminopyrrolidine · 1-Benzyl-3-pyrrolidinylamine · N-BENZYL-3-AMINO PYRROLIDINE
https://huagongshe.com/de/chemical/2756613
Identifikatoren & physikalische Daten
| CAS No. | 18471-40-4 |
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| Summenformel | C11H16N2 |
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| Durchschnittliche Molmasse | 176,26 g/mol |
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| Monoisotopische Masse | 176,13134851 g/mol |
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| SMILES | NC1CCN(Cc2ccccc2)C1 |
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| InChIKey | HBVNLKQGRZPGRP-UHFFFAOYSA-N |
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| PubChem CID | 2756613 |
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| EC No. | 627-854-2 |
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| DTXSID | DTXSID40373442 |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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| Polarare Oberfläche (TPSA) | 29,3 |
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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 | 13 |
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| Formalladung | 0 |
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| Komplexität | 152 |
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| Siedepunkt | 76 °C(Press: 0.2 Torr) |
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| Dichte | 1.024 g/mL at 25 °C |
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| Brechungsindex | 1.5477 |
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| Flammpunkt | >110°C |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | clear liquid |
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| pKa (Säurekonstante) | 9.74±0.20(Predicted) |
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| Wichte | 1.02 |
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| Farbe | Colorless to Light yellow |
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| InChI | 1S/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2 |
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| InChIKey | HBVNLKQGRZPGRP-UHFFFAOYSA-N |
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| SMILES | NC1CCN(C1)Cc2ccccc2 |
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| CAS Datenbank | 18471-40-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 42 reports by companies from 5 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. 3 (95.2%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2810 |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 25-36/37/38 |
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| Gefahrensymbole | TXi,Xi,T |
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| Sicherheitshinweise (S) | 26-45 |
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| Gefahrenklasse | 8Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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