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| CAS No.: | 3327-22-8 |
|---|---|
| Name: | 1-Propanaminium,3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) |
| Molecular Structure: | |
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| Formula: | C6H15Cl2NO |
| Molecular Weight: | 188.12 |
| Synonyms: | (3-Chloro-2-hydroxypropyl)trimethylammoniumchloride (7CI);1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride(9CI);Ammonium, (3-chloro-2-hydroxypropyl)trimethyl-, chloride (8CI);(2-Hydroxy-3-chloropropyl)trimethylammonium chloride;(3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride;1-Chloro-3-(trimethylammonio)-2-propanol chloride;1-Chloro-3-trimethylammonium-2-propanol chloride;COPA 60S;CR 2000;Catiomaster C;Catiomaster C 60;Cation Master C;Dextrosil KA;Dowquat 188;N-(3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammoniumchloride;NSC 51216;QUAB;QUAB 188;Reagens S-CFZ;Trimethyl(2-hydroxy-3-chloropropyl)ammonium chloride;VerolanKAF;Vircotone ECO;3-Chloro-2-hydroxypropyltrimethyl ammonium chloride; |
| EINECS: | 222-048-3 |
| Density: | 1.154 g/mL at 25 °C |
| Melting Point: | 191-193 °C |
| Boiling Point: | 190-209oC |
| Flash Point: | >230°F |
| Solubility: | N/A |
| Appearance: | red powder |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 2811 |
| PSA: | 20.23000 |
| LogP: | -2.70370 |
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The (3-Chloro-2-hydroxypropyl)trimethyl ammonium chloride is an organic compound with the formula C6H15Cl2NO. The IUPAC name of this chemical is (3-chloro-2-hydroxypropyl)-trimethylazanium chloride. With the CAS registry number 3327-22-8, it is also named as 1-propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1). The product's categories are Pharmaceutical Raw Materials; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts. Besides, it is used to prepare cationic starch, cationic polyacrylamide, electroplating additives, textile auxiliaries, antistatic agents and paper additives.This chemical can be prepared by trimethylamine hydrochloride and H2O. This reaction will need reagent epichlorohydrin. The reaction time is 2.5 hours with reaction temperature of 40 - 45 °C.
Physical properties about (3-Chloro-2-hydroxypropyl)trimethyl ammonium chloride are:
(1)ACD/LogP: -3.40; (2)ACD/LogD (pH 5.5): -3.4; (3)ACD/LogD (pH 7.4): -3.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å2.
Safety information of (3-Chloro-2-hydroxypropyl)trimethyl ammonium chloride:
When you are using (3-Chloro-2-hydroxypropyl)trimethyl ammonium chloride , please be cautious about it as the following:This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].ClCC(O)C[N+](C)(C)C
(2)InChI: InChI=1/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: CSPHGSFZFWKVDL-REWHXWOFAB
(4)Std. InChI: InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1
(5)Std. InChIKey: CSPHGSFZFWKVDL-UHFFFAOYSA-M
The toxicity data of 3-Chloro-2-hydroxypropyltrimethyl ammonium chloride is as follows
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | subcutaneous | 500mg/kg (500mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 1, Pg. 303, 1909. |
