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[2-(Methylthio)ethyl]amin
S-METHYLCYSTEAMINE · 5-methylcysteamine · 1-Aza-4-thiapentane · RARECHEM AL BW 0219 · Methylthio)ethylaMin · 1-AMINO-3-THIABUTANE · 2-(Methylthio)ethanamine · 2-(Methylthio)ethylamine
![Molekülstruktur von [2-(Methylthio)ethyl]amin](/img/chemical/87697.png)
Identifikatoren & physikalische Daten
| CAS No. | 18542-42-2 |
|---|---|
| Summenformel | C3H9NS |
| Durchschnittliche Molmasse | 91,18 g/mol |
| Monoisotopische Masse | 91,04557046 g/mol |
| SMILES | CSCCN |
| InChIKey | CYWGSFFHHMQKET-UHFFFAOYSA-N |
| PubChem CID | 87697 |
| EC No. | 242-412-5 |
| DTXSID | DTXSID50171774 |
| Lokaler Name | [2-(Methylthio)ethyl]amin |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 51,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 16 |
| Siedepunkt | 146-149 °C(lit.) |
| Dichte | 0.98 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.495(lit.) |
| Flammpunkt | 119 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | pK1:9.18(+1) (30°C) |
| Wichte | 0.974 |
| Farbe | Off-white to light brown |
| Löslichkeit | Soluble in water. |
| BRN | 1731099 |
| InChI | 1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3 |
| InChIKey | CYWGSFFHHMQKET-UHFFFAOYSA-N |
| SMILES | CSCCN |
| CAS Datenbank | 18542-42-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Corr. 1B (100%) |
| F | 10-13-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | T |
| UN-Transportnummer | UN 2734 8/PG 2 |
| Zollcode | 29309090 |
| R-Sätze (R) | 10-34 |
| Gefahrensymbole | C,F,Xi |
| hazard_note | Corrosive/Highly Flammable |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 3Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-(Methylthio)ethylamine is a pharmaceutical intermediate.