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Cyanmethyl(methyl)ammoniumchlorid
SARCOSINITRILE · JACS-25808-30-4 · Methylaminoacetonitr · METHYLAMINOACETONITRILE HCL · SARCOSINITRILE HYDROCHLORIDE · N-METHYL AMINOACETONITRILE HCL · SARCOSINE NITRILE HYDROCHLORIDE · cyanomethyl(methyl)ammonium chloride
Identifikatoren & physikalische Daten
| CAS No. | 25808-30-4 |
|---|---|
| Summenformel | C3H7ClN2 |
| Durchschnittliche Molmasse | 106,55 g/mol |
| Monoisotopische Masse | 106,0297759 g/mol |
| SMILES | CNCC#N.Cl |
| InChIKey | DFKBQHBEROHUNF-UHFFFAOYSA-N |
| PubChem CID | 117641 |
| EC No. | 247-277-6 |
| DTXSID | DTXSID3067152 |
| Lokaler Name | Cyanmethyl(methyl)ammoniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 35,8 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 49,2 |
| Schmelzpunkt | 103-106 °C(lit.) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| BRN | 3908975 |
| InChI | 1S/C3H6N2.ClH/c1-5-3-2-4/h5H,3H2,1H3 |
| InChIKey | DFKBQHBEROHUNF-UHFFFAOYSA-N |
| SMILES | Cl.CNCC#N |
| CAS Datenbank | 25808-30-4(CAS DataBase Reference) |
| EPA chemische Informationen | Acetonitrile, (methylamino)-, monohydrochloride (25808-30-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29269090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Methylaminoacetonitrile hydrochloride can be used as an intermediate in pharmaceutical and chemical synthesis. It is the raw material for the preparation of tadalafil. Approved by the FDA in 2003, tadalafil was marketed in the United States as a drug for the treatment of erectile dysfunction in men.