HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2-Thienylmethyl)amin
2-THIOPHENEMETHANAMINE · 2-Thienylmethanamine · 2-THENYLAMINE · AKOS BBS-00003607 · 2-ThiophenemethyL · thienylmethylamine · TIMTEC-BB SBB004315 · RARECHEM AL BW 0257
Identifikatoren & physikalische Daten
| CAS No. | 27757-85-3 |
|---|---|
| Summenformel | C5H7NS |
| Durchschnittliche Molmasse | 113,18 g/mol |
| Monoisotopische Masse | 113,02992022 g/mol |
| SMILES | NCc1cccs1 |
| InChIKey | FKKJJPMGAWGYPN-UHFFFAOYSA-N |
| PubChem CID | 34005 |
| ChEMBL | CHEMBL237711 |
| EC No. | 231-011-0 |
| DTXSID | DTXSID7075343 |
| Lokaler Name | (2-Thienylmethyl)amin |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 56 |
| Siedepunkt | 95-99 °C/28 mmHg (lit.) |
| Dichte | 1.103 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5670(lit.) |
| Flammpunkt | 165 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Easily soluble in ethanol and Chloroform. |
| pKa (Säurekonstante) | 8.95±0.29(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Clear colorless to yellow |
| BRN | 106296 |
| InChI | 1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2 |
| InChIKey | FKKJJPMGAWGYPN-UHFFFAOYSA-N |
| SMILES | NCc1cccs1 |
| CAS Datenbank | 27757-85-3(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Thiophenemethanamine(27757-85-3) |
| EPA chemische Informationen | 2-Thiophenemethylamine (27757-85-3) |
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 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3267 8/PG 2 |
| Zollcode | 29349990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-27-36/37/39-45-25 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Thiophenemethylamine can be used as areactant involved in synthesis of Triazole-linked-thiopene conjugates and a biomimetic model for studies of metal detoxification and oxidative stress involving metallothionein.