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CAS No.: | 51-84-3 |
---|---|
Name: | (2-acetoxyethyl)trimethylammonium |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C7H16 N O2 |
Molecular Weight: | 146.21 |
Synonyms: | Cholineacetate (ester) (8CI); Choline, acetate (7CI); ACh; Acetyl choline ion;Acetylcholine; Acetylcholine cation; Acetylcholinium; Choline, acetyl- |
Density: | g/cm3 |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
Safety: | Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. See also CHOLINE and ESTERS. |
PSA: | 26.30000 |
LogP: | 0.25570 |
Conditions | Yield |
---|---|
in Gegenwart eines Enzyms aus Schweineduenndarm-Presssaft; | |
In water at 20℃; for 24h; |
2-(dimethylamino)ethyl acetate
dimethyliodonium
A
acetylcholine
B
methyl iodide
Conditions | Yield |
---|---|
at 25.85℃; Rate constant; |
Conditions | Yield |
---|---|
With diethyl ether Salze des O-Acetyl-cholins; |
acetylcholine
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
With lead(IV) acetate; acetic acid at 20℃; |
Conditions | Yield |
---|---|
With potassium permanganate; sulfuric acid |
Conditions | Yield |
---|---|
bei der Spaltung durch ein im Presssaft aus Schweineduenndarm enthaltenes Enzym; |
Conditions | Yield |
---|---|
Hydrolysis; | |
With water; acetylcholinesterase In acetonitrile Inert atmosphere; Enzymatic reaction; |
acetylcholine
dihydrogen peroxide
p,p'-diaminobiphenyl
4-amino-4'-nitrobiphenyl
Conditions | Yield |
---|---|
in alkal.Loesung; |
Conditions | Yield |
---|---|
With acetylcholinesterase Enzyme kinetics; | |
With acetylcholinesterase In aq. buffer at 37℃; pH=9; Temperature; pH-value; Concentration; Enzymatic reaction; | |
With immobilized acetylcholinesterase Kinetics; Flow reactor; Enzymatic reaction; | |
With water In aq. phosphate buffer; dimethyl sulfoxide Kinetics; Catalytic behavior; Reagent/catalyst; | |
With acetylcholine esterase In aq. buffer at 37℃; Enzymatic reaction; |
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Molecular Structure of Choline acetate (ester) (CAS NO. 51-84-3):
EINECS: 200-128-9
IUPAC Name: 2-Acetyloxyethyl(trimethyl)azanium
Molecular Formula: C7H16NO2+
Molecular Weight: 146.207440 g/mol
XLogP3-AA: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Freely Rotating Bonds: 4
Canonical SMILES: CC(=O)OCC[N+](C)(C)C
InChI: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChIKey: OIPILFWXSMYKGL-UHFFFAOYSA-N
Polar Surface Area: 26.3 Å2
Water Solubility: 1e+006 mg/L at 25 °C
BRN: 1764436
1. | scu-rat LD50:250 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,29. | ||
2. | ivn-rat LD50:22 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 58 (1936),337. | ||
3. | orl-mus LD50:3000 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 58 (1936),337. | ||
4. | ipr-mus LD50:170 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 192 (1971),88. | ||
5. | scu-mus LD50:170 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 58 (1936),337. | ||
6. | ivn-mus LD50:11 mg/kg | ATXKA8 Archiv fuer Toxikologie. 29 (1972),39. | ||
7. | ivn-rbt LD50:300 µg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,39. |
Choline acetate (ester) with cas registry number of 51-84-3 is also called for (2-Acetoxyethyl)trimethylammonium ; 2-(Acetyloxy)-N,N,N-trimethylethanaminium ; 4-04-00-01446 (Beilstein Handbook Reference) ; ACh ; Acetyl choline cation ; Acetyl choline ion ; Acetylcholine ; Acetylcholinum ; Choline acetate ; Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- ; Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI) ; UNII-N9YNS0M02X .