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3-Phenylpropylamin
3-Phenylpropan-1-amine · 3-PHENYL-1-PROPYLAMINE · benzenepropanamine · NSC 87080 · Phenpropylamine · Hydrocinnamylamine · 3-PHENYLPROPYLAMINE · RARECHEM AL BW 0074
Identifikatoren & physikalische Daten
| CAS No. | 2038-57-5 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | NCCCc1ccccc1 |
| InChIKey | LYUQWQRTDLVQGA-UHFFFAOYSA-N |
| PubChem CID | 16259 |
| ChEMBL | CHEMBL276864 |
| ChEBI | CHEBI:45017 |
| EC No. | 218-012-1 |
| DTXSID | DTXSID10174307 |
| Lokaler Name | 3-Phenylpropylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 74,8 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Dielectric constant |
| Dampfdruck | 0.11 [mmHg] |
| Physical Description | Colorless liquid with an amine-like odor[Alfa Aesar MSDS] |
| Schmelzpunkt | 116°C (estimate) |
| Siedepunkt | 221 °C (lit.) |
| Dichte | 0.951 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.524(lit.) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Soluble in Chloroform, Ethyl Acetate. Not miscible in water. |
| Aggregatzustand | Crystals or Flakes |
| pKa (Säurekonstante) | pK1:10.39(+1) (25°C) |
| Wichte | 0.9510 |
| Farbe | Colorless to white |
| BRN | 2205526 |
| Stabilität | Hygroscopic |
| InChI | 1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2 |
| InChIKey | LYUQWQRTDLVQGA-UHFFFAOYSA-N |
| SMILES | NCCCc1ccccc1 |
| CAS Datenbank | 2038-57-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Causes tremor, convulsions, and excitement in oral, parenteral, and subcutaneous lethal-dose studies of guinea pigs[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214990 |
| RTECS-Nr. | UI4590000 |
| R-Sätze (R) | 34-37 |
| Toxizität | guinea pig,LDLo,oral,1gm/kg (1000mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDBEHAVIORAL: EXCITEMENTBEHAVIORAL: TREMOR,Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938. |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Phenylpropylamine is an compound used for the synthesis of various pharmaceuticals.