Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Choline acetate (ester) |
EINECS | N/A |
CAS No. | 51-84-3 | Density | g/cm3 |
PSA | 26.30000 | LogP | 0.25570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H16 N O2 | Boiling Point | °Cat760mmHg |
Molecular Weight | 146.21 | Flash Point | °C |
Transport Information | N/A | Appearance | N/A |
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. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cholineacetate (ester) (8CI); Choline, acetate (7CI); ACh; Acetyl choline ion;Acetylcholine; Acetylcholine cation; Acetylcholinium; Choline, acetyl- |
Article Data | 19 |
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; |
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. |
Safety Information of Choline acetate (ester) (CAS NO. 51-84-3):
RIDADR: 1760
HazardClass: 8
PackingGroup: II
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.
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 .