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3-Chlorpropyldimethylammoniumchlorid
DMPC · 3-Dimethylaminopropylchloride hydrochloride · 3-Chloro-N,N-dimethylpropylamine hydrochloride · 3-CHLORO-N,N-DIMETHYLPROPAN-1-AMINE HYDROCHLORIDE · 2-DIMETHYLAMINO ISOPROPYL CHLORIDE HCL · 3-Dimethylaminopropylmagnesium chloride · 2-CHLOROPROPYLDIMETHYLAMMONIUM CHLORIDE · B-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 5407-04-5 |
|---|---|
| Summenformel | C5H12ClN.ClH |
| Durchschnittliche Molmasse | 158,07 g/mol |
| Monoisotopische Masse | 157,04250478 g/mol |
| SMILES | CN(C)CCCCl.Cl |
| InChIKey | LJQNMDZRCXJETK-UHFFFAOYSA-N |
| PubChem CID | 94308 |
| ChEMBL | CHEMBL1362069 |
| EC No. | 226-467-2 |
| DTXSID | DTXSID5022227 |
| Lokaler Name | 3-Chlorpropyldimethylammoniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 3,2 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 37,1 |
| Schmelzpunkt | 187-190 °C(lit.) |
| Siedepunkt | 50 °C(Press: 40 Torr) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | 2000g/lsoluble |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| pH | 5-6 (500g/l, H2O, 20℃) |
| BRN | 3670046 |
| InChI | InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6/h3-5H2,1-2H31H |
| InChIKey | LJQNMDZRCXJETK-UHFFFAOYSA-N |
| SMILES | C(CCCl)N(C)C.Cl |
| CAS Datenbank | 5407-04-5(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Chloro-N,N-dimethyl-1-propanamine hydrochloride (5407-04-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 89 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propanamine, 3-chloro-N,N-dimethyl-, hydrochlorideStatus: Active Update: 12-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/117443-Chlorodimethylpropylamine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29211990 |
| RTECS-Nr. | TY1225000 |
| R-Sätze (R) | 22-36/37/38-52/53 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-61-37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-(Dimethylamino)propyl chloride hydrochloride (DMPC) is used as intermediate for the syntheses of pharmaceuticals (e.g. amitriptyline, bencyclane, benzydamine, cyclobenzaprine and imipramine). Product Data Sheet