HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Chlorphenethylamin
5-bromo-4-(trifluoromethyl)pyridin-2-amine · 6-iodopyridazin-3-amine · 6-bromoimidazo[1,2-a]pyridin-2-amine · 2-(4-CHLOROPHENYL)ETHYLAMINE · (5-Fluoropyridin-3-yl)methanamine · 6-bromo-2,4-dimethylpyridin-3-amine · 6-bromoimidazo[1,2-a]pyridin-3-amine · P-CHLOROPHENETHYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 156-41-2 |
|---|---|
| Summenformel | C8H10ClN |
| Durchschnittliche Molmasse | 155,62 g/mol |
| Monoisotopische Masse | 155,050177 g/mol |
| SMILES | NCCc1ccc(Cl)cc1 |
| InChIKey | SRXFXCKTIGELTI-UHFFFAOYSA-N |
| PubChem CID | 67430 |
| ChEMBL | CHEMBL477764 |
| EC No. | 205-853-4 |
| DTXSID | DTXSID40166018 |
| Lokaler Name | p-Chlorphenethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 87,3 |
| Collision Cross Section | 132.53 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Siedepunkt | 60-65 °C0.1 mm Hg(lit.) |
| Dichte | 1.112 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.548(lit.) |
| Flammpunkt | 223 °F |
| Lagerbedingungen | Store Cold |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.72±0.10(Predicted) |
| Wichte | 1.12 |
| Farbe | Clear colorless to yellow |
| BRN | 508247 |
| InChI | InChI=1S/C8H10ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 |
| InChIKey | SRXFXCKTIGELTI-UHFFFAOYSA-N |
| SMILES | C1(CCN)=CC=C(Cl)C=C1 |
| CAS Datenbank | 156-41-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38-34 |
| Gefahrensymbole | Xi,C,T |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-(4-Chlorophenyl)ethylamine has been used as a reactant in the preparation of isoalloxazine derivatives as cholinesterase inhibitors with a potential use in Alzheimer therapy.