HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N,N-Dimethyl-N'-2-pyridinyl-N'-(3-thienylmethyl)-1,2-ethandiamin
Thenfadil · WIN-2848 · Thefanil · Tenfidil · thenyldiamine · thenyldiamine USP/EP/BP · Thenyldiamine Hydrochloride (Thenfadil) · N,N-dimethyl-N-2-pyridyl-N-3-thenylethylenediamine
Identifikatoren & physikalische Daten
| CAS No. | 91-79-2 |
|---|---|
| Summenformel | C14H19N3S |
| Durchschnittliche Molmasse | 261,39 g/mol |
| Monoisotopische Masse | 261,12996879 g/mol |
| SMILES | CN(C)CCN(Cc1ccsc1)c1ccccn1 |
| InChIKey | RCGYDFVCAAKKNG-UHFFFAOYSA-N |
| PubChem CID | 7066 |
| ChEMBL | CHEMBL2107485 |
| ChEBI | CHEBI:186232 |
| EC No. | 202-098-2 |
| DTXSID | DTXSID0021335 |
| Lokaler Name | N,N-Dimethyl-N'-2-pyridinyl-N'-(3-thienylmethyl)-1,2-ethandiamin |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 235 |
| Color/Form | LIQUID |
| Siedepunkt | 169-172 °C @ 1.0 MM HGbp1.0 169-172° |
| Brechungsindex | INDEX OF REFRACTION: 1.5915 @ 20 °C/DnD20 1.5915 |
| Other Experimental Properties | BITTER TASTEPH OF 1% AQ SOLN 6.5MELTING POINT: 169.5-170 °CCRYSTALS FROM METHANOLSOL IN WATER UP TO 20%SLIGHTLY SOL IN ALC /HYDROCHLORIDE/ |
| Dichte | 1.1388 (rough estimate) |
| pKa (Säurekonstante) | pKa 3.94(H2O t=25 c=0.002 to 0.01) (Uncertain)8.93 (Uncertain) |
| Löslichkeit | 4.444g/L(37.5 ºC) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Human Toxicity Excerpts | GASTROINTESTINAL SIDE EFFECTS ARE QUITE COMMON. /ETHYLENEDIAMINES/ |
| Gefahrstoffdaten | 91-79-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Medicine (as base for various salts, especially the hydrochloride).