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4-Phenylbutylamin
4-PHENYLBUTAN-1-AMINE · Einecs 236-186-7 · Phenylbutylamine · Benzenebutanamine · Aminophenylbutane · 4-PHENYLBUTYLAMINE · RARECHEM AL BW 0239 · PHENYLBUTYLAMINE, 4-
Identifikatoren & physikalische Daten
| CAS No. | 13214-66-9 |
|---|---|
| Summenformel | C10H15N |
| Durchschnittliche Molmasse | 149,23 g/mol |
| Monoisotopische Masse | 149,12044948 g/mol |
| SMILES | NCCCCc1ccccc1 |
| InChIKey | AGNFWIZBEATIAK-UHFFFAOYSA-N |
| PubChem CID | 83242 |
| ChEMBL | CHEMBL79512 |
| ChEBI | CHEBI:44814 |
| EC No. | 236-186-7 |
| DTXSID | DTXSID50157371 |
| Lokaler Name | 4-Phenylbutylamin |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 84,9 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Optical coefficient |
| LogP (Verteilungskoeffizient) | 2.25 |
| Dampfdruck | 0.03 [mmHg] |
| Physical Description | Liquid[Sigma-Aldrich MSDS] |
| Dissociation Constants | 10.5 |
| Schmelzpunkt | 143°C (estimate) |
| Siedepunkt | 123-124 °C17 mm Hg(lit.) |
| Dichte | 0.944 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.519(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 10.66±0.10(Predicted) |
| Farbe | Colourless |
| BRN | 2080045 |
| InChI | 1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2 |
| InChIKey | AGNFWIZBEATIAK-UHFFFAOYSA-N |
| SMILES | NCCCCc1ccccc1 |
| CAS Datenbank | 13214-66-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 2921301090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Phenylbutylamine was used in direct solvent-free amination of multi-walled carbon nanotubes. It was employed as internal standard during solid-phase micro-extraction by GC technique for detection of amphetamines in urine.