HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Thiophen-2-ethylamin
2-(thiophen-2-yl)ethan-1-aMine · 2-THIOPHENEETHYLAMINE · 2-(2-AMINOETHYL)THIOPHENE · Thiophen-2-ylacetyl chloride · 2-Thien-2-yL · ThiopheneEthaMine · RARECHEM AL BW 0099 · 2-Thiopheneethamine
Identifikatoren & physikalische Daten
| CAS No. | 30433-91-1 |
|---|---|
| Summenformel | C6H9NS |
| Durchschnittliche Molmasse | 127,21 g/mol |
| Monoisotopische Masse | 127,04557029 g/mol |
| SMILES | NCCc1cccs1 |
| InChIKey | HVLUYXIJZLDNIS-UHFFFAOYSA-N |
| PubChem CID | 116521 |
| ChEMBL | CHEMBL252803 |
| EC No. | 250-196-9 |
| DTXSID | DTXSID60952773 |
| Lokaler Name | Thiophen-2-ethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 65,5 |
| Schmelzpunkt | 202 °C |
| Siedepunkt | 200-201 °C/750 mmHg (lit.) |
| Dichte | 1.087 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.551(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Methanol |
| pKa (Säurekonstante) | 9.47±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.087 |
| Farbe | Colorless to yellow |
| BRN | 106962 |
| InChI | 1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2 |
| InChIKey | HVLUYXIJZLDNIS-UHFFFAOYSA-N |
| SMILES | NCCc1cccs1 |
| CAS Datenbank | 30433-91-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12301 |
| Hazard Classes and Categories | Acute Tox. 4 (87.2%)Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29339900 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
[2-(Thiophene-2-yl)ethyl]amine is used in the synthesis of geldanamycin derivatives as HCV replication inhibitors targetting Hsp90.